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ArcFS Archive  |  1995-10-01  |  144.0 KB

open in: MacOS 8.1     |     Win98     |     DOS

view JSON data     |     view as text

This file was processed as: ArcFS Archive (archive/arcFS).

You can browse this item here: molecule

ConfidenceProgramDetectionMatch TypeSupport
100% dexvert ArcFS Archive (archive/arcFS) magic Supported
100% file RISC OS archive (ArcFS format) default
99% file data default
100% TrID Acorn ArcFS Archive default
100% gt2 Kopftext: 'Archive' default (weak)
100% detectItEasy Archive: ArcFS default



hex view
+--------+-------------------------+-------------------------+--------+--------+
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|000008f0| 6a ad 89 d0 46 69 6c 65 | 44 61 74 61 82 21 42 6f |j...File|Data.!Bo|
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|00000910| 5e 30 fc bb 03 00 6a 0e | 7c 20 21 42 6f 6f 74 20 |^0....j.|| !Boot |
|00000920| 66 69 6c 65 20 66 6f 72 | 20 4d 6f 6c 65 63 75 6c |file for| Molecul|
|00000930| 65 20 64 72 61 77 65 72 | 0a 49 63 6f 6e 53 70 72 |e drawer|.IconSpr|
|00000940| 69 74 65 73 20 3c 4f 62 | 65 79 24 44 69 72 3e 2e |ites <Ob|ey$Dir>.|
|00000950| 21 53 70 72 69 74 65 73 | 0a 53 65 74 20 46 69 6c |!Sprites|.Set Fil|
|00000960| 65 24 54 79 70 65 5f 33 | 46 46 20 4d 6f 6c 65 63 |e$Type_3|FF Molec|
|00000970| 75 6c 65 0a 46 69 6c 65 | 44 61 74 61 82 21 48 65 |ule.File|Data.!He|
|00000980| 6c 70 00 01 00 00 00 00 | 83 0a 00 00 43 ff ff ff |lp......|....C...|
|00000990| 2e a6 56 bc 03 00 d2 c8 | 0a 20 20 20 20 20 2f 2d |..V.....|. /-|
|000009a0| 2d 2d 2d 2d 2d 2d 2d 2d | 2d 2d 2d 2d 2d 2d 2d 2d |--------|--------|
|000009b0| 2d 2d 2d 2d 2d 2d 2d 2d | 2d 2d 2d 2d 2d 2d 2d 2d |--------|--------|
|000009c0| 2d 2d 2d 2d 2d 2d 2d 2d | 2d 2d 2d 2d 2d 2d 2d 2d |--------|--------|
|000009d0| 2d 2d 2d 2d 2d 2d 2d 5c | 0a 20 20 20 20 20 7c 20 |-------\|. | |
|000009e0| 21 4d 6f 6c 65 63 44 65 | 6d 6f 20 3d 20 44 65 6d |!MolecDe|mo = Dem|
|000009f0| 6f 20 76 65 72 73 69 6f | 6e 20 6f 66 20 4d 6f 6c |o versio|n of Mol|
|00000a00| 65 63 75 6c 65 20 64 72 | 61 77 69 6e 67 20 70 72 |ecule dr|awing pr|
|00000a10| 6f 67 72 61 6d 2e 20 7c | 0a 20 20 20 20 20 7c 20 |ogram. ||. | |
|00000a20| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 62 79 20 | | by |
|00000a30| 44 72 2e 20 52 6f 64 65 | 72 69 63 6b 20 46 65 72 |Dr. Rode|rick Fer|
|00000a40| 67 75 73 6f 6e 2c 20 31 | 39 39 32 2e 20 20 20 20 |guson, 1|992. |
|00000a50| 20 20 20 20 20 20 20 7c | 0a 20 20 20 20 20 5c 2d | ||. \-|
|00000a60| 2d 2d 2d 2d 2d 2d 2d 2d | 2d 2d 2d 2d 2d 2d 2d 2d |--------|--------|
|00000a70| 2d 2d 2d 2d 2d 2d 2d 2d | 2d 2d 2d 2d 2d 2d 2d 2d |--------|--------|
|00000a80| 2d 2d 2d 2d 2d 2d 2d 2d | 2d 2d 2d 2d 2d 2d 2d 2d |--------|--------|
|00000a90| 2d 2d 2d 2d 2d 2d 2d 2f | 0a 0a 20 20 20 20 20 54 |-------/|.. T|
|00000aa0| 6f 20 61 6c 6c 20 63 68 | 65 6d 69 73 74 73 20 77 |o all ch|emists w|
|00000ab0| 68 6f 20 75 73 65 20 41 | 72 63 68 69 6d 65 64 65 |ho use A|rchimede|
|00000ac0| 73 20 6d 61 63 68 69 6e | 65 73 21 21 0a 0a 20 20 |s machin|es!!.. |
|00000ad0| 20 20 20 48 65 72 65 20 | 69 73 20 61 20 64 65 6d | Here |is a dem|
|00000ae0| 6f 20 76 65 72 73 69 6f | 6e 20 6f 66 20 61 20 6d |o versio|n of a m|
|00000af0| 6f 6c 65 63 75 6c 61 72 | 20 64 72 61 77 69 6e 67 |olecular| drawing|
|00000b00| 20 70 72 6f 67 72 61 6d | 20 74 68 61 74 20 49 20 | program| that I |
|00000b10| 68 61 76 65 20 62 65 65 | 6e 0a 77 6f 72 6b 69 6e |have bee|n.workin|
|00000b20| 67 20 6f 6e 2e 20 20 54 | 6f 20 6c 65 61 72 6e 20 |g on. T|o learn |
|00000b30| 68 6f 77 20 74 6f 20 75 | 73 65 20 69 74 2c 20 79 |how to u|se it, y|
|00000b40| 6f 75 20 63 61 6e 20 67 | 65 74 20 69 6e 74 65 72 |ou can g|et inter|
|00000b50| 61 63 74 69 76 65 20 68 | 65 6c 70 20 6d 65 73 73 |active h|elp mess|
|00000b60| 61 67 65 73 0a 62 79 20 | 72 75 6e 6e 69 6e 67 20 |ages.by |running |
|00000b70| 74 68 65 20 52 49 53 43 | 20 4f 53 20 21 48 65 6c |the RISC| OS !Hel|
|00000b80| 70 20 41 70 70 6c 69 63 | 61 74 69 6f 6e 2e 20 20 |p Applic|ation. |
|00000b90| 49 20 68 61 76 65 20 69 | 6e 63 6c 75 64 65 64 20 |I have i|ncluded |
|00000ba0| 73 6f 6d 65 20 73 69 6d | 70 6c 65 20 6d 6f 6c 65 |some sim|ple mole|
|00000bb0| 63 75 6c 65 0a 64 61 74 | 61 20 66 69 6c 65 73 20 |cule.dat|a files |
|00000bc0| 28 66 69 6c 65 20 74 79 | 70 65 20 26 33 46 46 29 |(file ty|pe &3FF)|
|00000bd0| 20 66 6f 72 20 70 65 6f | 70 6c 65 20 74 6f 20 70 | for peo|ple to p|
|00000be0| 6c 61 79 20 77 69 74 68 | 2e 20 20 4c 6f 61 64 20 |lay with|. Load |
|00000bf0| 61 20 66 69 6c 65 20 69 | 6e 74 6f 20 74 68 65 0a |a file i|nto the.|
|00000c00| 61 70 70 6c 69 63 61 74 | 69 6f 6e 20 62 79 20 64 |applicat|ion by d|
|00000c10| 72 61 67 67 69 6e 67 20 | 69 74 20 66 72 6f 6d 20 |ragging |it from |
|00000c20| 74 68 65 20 64 69 72 65 | 63 74 6f 72 79 20 77 69 |the dire|ctory wi|
|00000c30| 6e 64 6f 77 20 69 6e 74 | 6f 20 65 69 74 68 65 72 |ndow int|o either|
|00000c40| 20 74 68 65 20 6d 61 69 | 6e 20 77 69 6e 64 6f 77 | the mai|n window|
|00000c50| 0a 6f 72 20 74 68 65 20 | 69 63 6f 6e 62 61 72 20 |.or the |iconbar |
|00000c60| 69 63 6f 6e 2e 20 20 54 | 68 65 20 64 61 74 61 20 |icon. T|he data |
|00000c70| 66 69 6c 65 73 20 77 65 | 72 65 20 69 6e 69 74 69 |files we|re initi|
|00000c80| 61 6c 6c 79 20 63 72 65 | 61 74 65 64 20 77 69 74 |ally cre|ated wit|
|00000c90| 68 20 61 20 6d 6f 72 65 | 20 70 6f 77 65 72 66 75 |h a more| powerfu|
|00000ca0| 6c 0a 76 65 72 73 69 6f | 6e 20 6f 66 20 74 68 69 |l.versio|n of thi|
|00000cb0| 73 20 64 65 6d 6f 20 70 | 72 6f 67 72 61 6d 2c 20 |s demo p|rogram, |
|00000cc0| 61 6e 64 20 74 68 65 6e | 20 74 68 65 20 6d 69 6e |and then| the min|
|00000cd0| 69 6d 75 6d 20 65 6e 65 | 72 67 79 20 73 74 72 75 |imum ene|rgy stru|
|00000ce0| 63 74 75 72 65 73 20 6f | 62 74 61 69 6e 65 64 0a |ctures o|btained.|
|00000cf0| 76 69 61 20 74 68 65 20 | 41 6c 6c 69 6e 67 65 72 |via the |Allinger|
|00000d00| 20 6d 6f 6c 65 63 75 6c | 61 72 20 6d 65 63 68 61 | molecul|ar mecha|
|00000d10| 6e 69 63 73 20 70 72 6f | 67 72 61 6d 20 22 4d 4d |nics pro|gram "MM|
|00000d20| 32 22 2e 0a 0a 20 20 20 | 20 20 49 20 68 61 76 65 |2"... | I have|
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|00004c20| 52 6f 74 5a 28 29 3d 28 | 63 74 68 29 2c 2d 73 74 |RotZ()=(|cth),-st|
|00004c30| 68 2c 30 2c 73 74 68 2c | 63 74 68 2c 30 2c 30 2c |h,0,sth,|cth,0,0,|
|00004c40| 30 2c 31 0d 17 02 28 52 | 6f 74 5a 32 28 29 3d 28 |0,1...(R|otZ2()=(|
|00004c50| 63 74 68 29 2c 73 74 68 | 2c 30 2c 2d 73 74 68 2c |cth),sth|,0,-sth,|
|00004c60| 63 74 68 2c 30 2c 30 2c | 30 2c 31 0d 17 0c 05 e1 |cth,0,0,|0,1.....|
|00004c70| 0d 17 16 05 3a 0d 17 20 | 22 dd 20 f2 69 6e 69 74 |....:.. |". .init|
|00004c80| 64 72 69 76 65 72 28 f8 | 20 53 25 2c f8 20 45 25 |driver(.| S%,. E%|
|00004c90| 2c 41 6e 67 6c 65 29 0d | 17 2a 0e ea 20 41 6c 2c |,Angle).|.*.. Al,|
|00004ca0| 41 25 2c 4e 25 0d 17 34 | 15 c8 8e 20 94 28 54 79 |A%,N%..4|... .(Ty|
|00004cb0| 70 65 25 28 45 25 29 29 | 20 ca 0d 17 3e 2a c9 20 |pe%(E%))| ...>*. |
|00004cc0| 35 2c 37 2c 31 31 2c 31 | 32 2c 31 33 2c 31 34 2c |5,7,11,1|2,13,14,|
|00004cd0| 32 30 2c 32 31 2c 32 33 | 2c 32 34 3a c8 94 20 53 |20,21,23|,24:.. S|
|00004ce0| 25 2c 45 25 0d 17 48 05 | cb 0d 17 52 11 44 53 25 |%,E%..H.|...R.DS%|
|00004cf0| 3d 53 25 3a 44 45 25 3d | 45 25 0d 17 5c 19 f2 64 |=S%:DE%=|E%..\..d|
|00004d00| 72 69 76 65 72 5f 61 78 | 69 73 28 44 53 25 2c 44 |river_ax|is(DS%,D|
|00004d10| 45 25 29 0d 17 66 17 f2 | 64 72 69 76 65 72 61 74 |E%)..f..|driverat|
|00004d20| 6f 6d 73 28 53 25 2c 45 | 25 29 0d 17 70 05 e1 0d |oms(S%,E|%)..p...|
|00004d30| 17 7a 05 3a 0d 17 84 19 | dd 20 f2 64 72 69 76 65 |.z.:....|. .drive|
|00004d40| 72 5f 61 78 69 73 28 53 | 25 2c 45 25 29 0d 17 8e |r_axis(S|%,E%)...|
|00004d50| 19 ea 20 41 25 2c 42 25 | 2c 4e 25 2c 6e 31 2c 6e |.. A%,B%|,N%,n1,n|
|00004d60| 32 2c 6e 33 2c 6e 0d 17 | 98 30 41 25 3d 2d 31 3a |2,n3,n..|.0A%=-1:|
|00004d70| f5 3a 41 25 2b 3d 31 3a | 4e 25 3d 43 6f 6e 25 28 |.:A%+=1:|N%=Con%(|
|00004d80| 45 25 2c 41 25 29 3a fd | 20 4e 25 3c 3e 53 25 20 |E%,A%):.| N%<>S% |
|00004d90| 84 20 41 25 3d 33 0d 17 | a2 3c 6e 31 3d 52 28 45 |. A%=3..|.<n1=R(E|
|00004da0| 25 2c 30 29 2d 52 28 53 | 25 2c 30 29 3a 6e 32 3d |%,0)-R(S|%,0):n2=|
|00004db0| 52 28 45 25 2c 31 29 2d | 52 28 53 25 2c 31 29 3a |R(E%,1)-|R(S%,1):|
|00004dc0| 6e 33 3d 52 28 45 25 2c | 32 29 2d 52 28 53 25 2c |n3=R(E%,|2)-R(S%,|
|00004dd0| 32 29 0d 17 ac 1a 6e 3d | b6 28 6e 31 2a 6e 31 2b |2)....n=|.(n1*n1+|
|00004de0| 6e 32 2a 6e 32 2b 6e 33 | 2a 6e 33 29 0d 17 b6 1b |n2*n2+n3|*n3)....|
|00004df0| 6e 31 3d 6e 31 2f 6e 3a | 6e 32 3d 6e 32 2f 6e 3a |n1=n1/n:|n2=n2/n:|
|00004e00| 6e 33 3d 6e 33 2f 6e 0d | 17 c0 23 43 6f 73 3d 9b |n3=n3/n.|..#Cos=.|
|00004e10| 28 b2 28 41 6e 67 6c 65 | 29 29 3a 53 69 6e 3d b5 |(.(Angle|)):Sin=.|
|00004e20| 28 b2 28 41 6e 67 6c 65 | 29 29 0d 17 ca 1c 52 6f |(.(Angle|))....Ro|
|00004e30| 74 41 31 31 3d 28 31 2d | 43 6f 73 29 2a 6e 31 2a |tA11=(1-|Cos)*n1*|
|00004e40| 6e 31 2b 43 6f 73 0d 17 | d4 1f 52 6f 74 41 31 32 |n1+Cos..|..RotA12|
|00004e50| 3d 28 31 2d 43 6f 73 29 | 2a 6e 31 2a 6e 32 2b 6e |=(1-Cos)|*n1*n2+n|
|00004e60| 33 2a 53 69 6e 0d 17 de | 1f 52 6f 74 41 31 33 3d |3*Sin...|.RotA13=|
|00004e70| 28 31 2d 43 6f 73 29 2a | 6e 31 2a 6e 33 2d 6e 32 |(1-Cos)*|n1*n3-n2|
|00004e80| 2a 53 69 6e 0d 17 e8 1f | 52 6f 74 41 32 31 3d 28 |*Sin....|RotA21=(|
|00004e90| 31 2d 43 6f 73 29 2a 6e | 32 2a 6e 31 2d 6e 33 2a |1-Cos)*n|2*n1-n3*|
|00004ea0| 53 69 6e 0d 17 f2 1c 52 | 6f 74 41 32 32 3d 28 31 |Sin....R|otA22=(1|
|00004eb0| 2d 43 6f 73 29 2a 6e 32 | 2a 6e 32 2b 43 6f 73 0d |-Cos)*n2|*n2+Cos.|
|00004ec0| 17 fc 1f 52 6f 74 41 32 | 33 3d 28 31 2d 43 6f 73 |...RotA2|3=(1-Cos|
|00004ed0| 29 2a 6e 32 2a 6e 33 2b | 6e 31 2a 53 69 6e 0d 18 |)*n2*n3+|n1*Sin..|
|00004ee0| 06 1f 52 6f 74 41 33 31 | 3d 28 31 2d 43 6f 73 29 |..RotA31|=(1-Cos)|
|00004ef0| 2a 6e 33 2a 6e 31 2b 6e | 32 2a 53 69 6e 0d 18 10 |*n3*n1+n|2*Sin...|
|00004f00| 1f 52 6f 74 41 33 32 3d | 28 31 2d 43 6f 73 29 2a |.RotA32=|(1-Cos)*|
|00004f10| 6e 33 2a 6e 32 2d 6e 31 | 2a 53 69 6e 0d 18 1a 1c |n3*n2-n1|*Sin....|
|00004f20| 52 6f 74 41 33 33 3d 28 | 31 2d 43 6f 73 29 2a 6e |RotA33=(|1-Cos)*n|
|00004f30| 33 2a 6e 33 2b 43 6f 73 | 0d 18 24 11 52 6f 74 42 |3*n3+Cos|..$.RotB|
|00004f40| 31 31 3d 52 6f 74 41 31 | 31 0d 18 2e 1f 52 6f 74 |11=RotA1|1....Rot|
|00004f50| 42 31 32 3d 28 31 2d 43 | 6f 73 29 2a 6e 31 2a 6e |B12=(1-C|os)*n1*n|
|00004f60| 32 2d 6e 33 2a 53 69 6e | 0d 18 38 1f 52 6f 74 42 |2-n3*Sin|..8.RotB|
|00004f70| 31 33 3d 28 31 2d 43 6f | 73 29 2a 6e 31 2a 6e 33 |13=(1-Co|s)*n1*n3|
|00004f80| 2b 6e 32 2a 53 69 6e 0d | 18 42 1f 52 6f 74 42 32 |+n2*Sin.|.B.RotB2|
|00004f90| 31 3d 28 31 2d 43 6f 73 | 29 2a 6e 32 2a 6e 31 2b |1=(1-Cos|)*n2*n1+|
|00004fa0| 6e 33 2a 53 69 6e 0d 18 | 4c 11 52 6f 74 42 32 32 |n3*Sin..|L.RotB22|
|00004fb0| 3d 52 6f 74 41 32 32 0d | 18 56 1f 52 6f 74 42 32 |=RotA22.|.V.RotB2|
|00004fc0| 33 3d 28 31 2d 43 6f 73 | 29 2a 6e 32 2a 6e 33 2d |3=(1-Cos|)*n2*n3-|
|00004fd0| 6e 31 2a 53 69 6e 0d 18 | 60 1f 52 6f 74 42 33 31 |n1*Sin..|`.RotB31|
|00004fe0| 3d 28 31 2d 43 6f 73 29 | 2a 6e 33 2a 6e 31 2d 6e |=(1-Cos)|*n3*n1-n|
|00004ff0| 32 2a 53 69 6e 0d 18 6a | 1f 52 6f 74 42 33 32 3d |2*Sin..j|.RotB32=|
|00005000| 28 31 2d 43 6f 73 29 2a | 6e 33 2a 6e 32 2b 6e 31 |(1-Cos)*|n3*n2+n1|
|00005010| 2a 53 69 6e 0d 18 74 11 | 52 6f 74 42 33 33 3d 52 |*Sin..t.|RotB33=R|
|00005020| 6f 74 41 33 33 0d 18 7e | 0e 64 78 3d 52 28 45 25 |otA33..~|.dx=R(E%|
|00005030| 2c 30 29 0d 18 88 0e 64 | 79 3d 52 28 45 25 2c 31 |,0)....d|y=R(E%,1|
|00005040| 29 0d 18 92 0e 64 7a 3d | 52 28 45 25 2c 32 29 0d |)....dz=|R(E%,2).|
|00005050| 18 9c 0e 64 72 69 76 65 | 72 32 25 3d b9 0d 18 a6 |...drive|r2%=....|
|00005060| 05 e1 0d 18 b0 05 3a 0d | 18 ba 19 dd 20 f2 64 72 |......:.|.... .dr|
|00005070| 69 76 65 72 61 74 6f 6d | 73 28 53 25 2c 45 25 29 |iveratom|s(S%,E%)|
|00005080| 0d 18 c4 08 ea 20 4d 25 | 0d 18 ce 0c 54 6f 72 25 |..... M%|....Tor%|
|00005090| 28 29 3d a3 0d 18 d8 08 | 4d 25 3d 30 0d 18 e2 0e |()=.....|M%=0....|
|000050a0| 54 6f 72 25 28 53 25 29 | 3d b9 0d 18 ec 0e 54 6f |Tor%(S%)|=.....To|
|000050b0| 72 25 28 45 25 29 3d b9 | 0d 18 f6 17 f2 64 72 69 |r%(E%)=.|.....dri|
|000050c0| 76 65 72 5f 61 74 6f 6d | 28 53 25 2c 45 25 29 0d |ver_atom|(S%,E%).|
|000050d0| 19 00 0e 54 6f 72 25 28 | 53 25 29 3d a3 0d 19 0a |...Tor%(|S%)=....|
|000050e0| 0e 54 6f 72 25 28 45 25 | 29 3d a3 0d 19 14 05 e1 |.Tor%(E%|)=......|
|000050f0| 0d 19 1e 05 3a 0d 19 28 | 19 dd 20 f2 64 72 69 76 |....:..(|.. .driv|
|00005100| 65 72 5f 61 74 6f 6d 28 | 53 25 2c 45 25 29 0d 19 |er_atom(|S%,E%)..|
|00005110| 32 13 ea 20 41 25 2c 4e | 25 2c 41 74 74 25 2c 43 |2.. A%,N|%,Att%,C|
|00005120| 25 0d 19 3c 08 43 25 3d | 30 0d 19 46 0e e3 20 41 |%..<.C%=|0..F.. A|
|00005130| 25 3d 30 20 b8 20 33 0d | 19 50 1c e7 20 43 6f 6e |%=0 . 3.|.P.. Con|
|00005140| 25 28 45 25 2c 41 25 29 | 3c 3e 30 20 8c 20 43 25 |%(E%,A%)|<>0 . C%|
|00005150| 2b 3d 31 0d 19 5a 08 ed | 20 41 25 0d 19 64 0a 41 |+=1..Z..| A%..d.A|
|00005160| 74 74 25 3d 30 0d 19 6e | 0f e3 20 41 25 3d 30 20 |tt%=0..n|.. A%=0 |
|00005170| b8 20 43 25 0d 19 78 12 | 4e 25 3d 43 6f 6e 25 28 |. C%..x.|N%=Con%(|
|00005180| 45 25 2c 41 25 29 0d 19 | 82 23 e7 20 4e 25 3c 3e |E%,A%)..|.#. N%<>|
|00005190| 30 20 80 20 4e 25 3c 3e | 53 25 20 80 20 54 6f 72 |0 . N%<>|S% . Tor|
|000051a0| 25 28 4e 25 29 3d a3 20 | 8c 0d 19 8c 0e 54 6f 72 |%(N%)=. |.....Tor|
|000051b0| 25 28 4e 25 29 3d b9 0d | 19 96 09 4d 25 2b 3d 31 |%(N%)=..|...M%+=1|
|000051c0| 0d 19 a0 15 e7 20 a4 61 | 74 74 61 63 68 65 64 28 |..... .a|ttached(|
|000051d0| 4e 25 29 20 8c 0d 19 aa | 0b 41 74 74 25 2b 3d 31 |N%) ....|.Att%+=1|
|000051e0| 0d 19 b4 11 e7 20 41 74 | 74 25 3d 43 25 20 8c 20 |..... At|t%=C% . |
|000051f0| e1 0d 19 be 05 cc 0d 19 | c8 17 f2 64 72 69 76 65 |........|...drive|
|00005200| 72 5f 61 74 6f 6d 28 45 | 25 2c 4e 25 29 0d 19 d2 |r_atom(E|%,N%)...|
|00005210| 05 cd 0d 19 dc 05 cd 0d | 19 e6 08 ed 20 41 25 0d |........|.... A%.|
|00005220| 19 f0 05 e1 0d 19 fa 05 | 3a 0d 1a 04 13 dd 20 a4 |........|:..... .|
|00005230| 61 74 74 61 63 68 65 64 | 28 4e 25 29 0d 1a 0e 08 |attached|(N%)....|
|00005240| ea 20 41 25 0d 1a 18 15 | c8 8e 20 94 28 54 79 70 |. A%....|.. .(Typ|
|00005250| 65 25 28 4e 25 29 29 20 | ca 0d 1a 22 27 c9 20 35 |e%(N%)) |..."'. 5|
|00005260| 2c 37 2c 31 31 2c 31 32 | 2c 31 33 2c 31 34 2c 32 |,7,11,12|,13,14,2|
|00005270| 30 2c 32 31 2c 32 33 2c | 32 34 3a 20 41 25 3d b9 |0,21,23,|24: A%=.|
|00005280| 0d 1a 2c 05 7f 0d 1a 36 | 08 41 25 3d a3 0d 1a 40 |..,....6|.A%=...@|
|00005290| 05 cb 0d 1a 4a 07 3d 41 | 25 0d 1a 54 05 3a 0d 1a |....J.=A|%..T.:..|
|000052a0| 5e 16 dd 20 f2 64 72 61 | 77 33 64 28 78 30 25 2c |^.. .dra|w3d(x0%,|
|000052b0| 79 30 25 29 0d 1a 68 3f | c8 99 20 4f 53 5f 53 4f |y0%)..h?|.. OS_SO|
|000052c0| 70 25 2c 26 31 33 34 2c | 73 70 2c 22 6d 61 69 6e |p%,&134,|sp,"main|
|000052d0| 22 2c 78 30 25 2c 79 30 | 25 2d 31 30 32 34 2c 30 |",x0%,y0|%-1024,0|
|000052e0| 2c 66 61 63 74 6f 72 73 | 25 2c 70 69 78 74 72 61 |,factors|%,pixtra|
|000052f0| 6e 73 25 0d 1a 72 05 e1 | 0d 1a 7c 05 3a 0d 1a 86 |ns%..r..|..|.:...|
|00005300| 0d dd 20 f2 72 65 63 61 | 6c 63 0d 1a 90 15 ea 20 |.. .reca|lc..... |
|00005310| 52 30 25 2c 52 31 25 2c | 52 32 25 2c 52 33 25 0d |R0%,R1%,|R2%,R3%.|
|00005320| 1a 9a 39 c8 99 20 4f 53 | 5f 53 4f 70 25 2c 26 31 |..9.. OS|_SOp%,&1|
|00005330| 33 43 2c 73 70 2c 22 6d | 61 69 6e 22 2c 73 61 76 |3C,sp,"m|ain",sav|
|00005340| 65 61 72 65 61 25 20 b8 | 20 52 30 25 2c 52 31 25 |earea% .| R0%,R1%|
|00005350| 2c 52 32 25 2c 52 33 25 | 0d 1a a4 10 ef 20 32 33 |,R2%,R3%|..... 23|
|00005360| 2c 31 37 2c 34 2c 31 7c | 0d 1a ae 3b ef 20 32 33 |,17,4,1||...;. 23|
|00005370| 2c 32 2c 26 42 46 2c 26 | 46 42 2c 26 42 46 2c 26 |,2,&BF,&|FB,&BF,&|
|00005380| 46 42 2c 26 42 46 2c 26 | 46 42 2c 26 42 46 2c 26 |FB,&BF,&|FB,&BF,&|
|00005390| 46 42 3a 20 f4 20 50 75 | 72 70 6c 65 20 3d 20 45 |FB: . Pu|rple = E|
|000053a0| 43 46 31 0d 1a b8 3b ef | 20 32 33 2c 33 2c 26 41 |CF1...;.| 23,3,&A|
|000053b0| 44 2c 26 44 41 2c 26 41 | 44 2c 26 44 41 2c 26 41 |D,&DA,&A|D,&DA,&A|
|000053c0| 44 2c 26 44 41 2c 26 41 | 44 2c 26 44 41 3a 20 f4 |D,&DA,&A|D,&DA: .|
|000053d0| 20 47 72 65 65 6e 20 20 | 3d 20 45 43 46 32 0d 1a | Green |= ECF2..|
|000053e0| c2 3b ef 20 32 33 2c 34 | 2c 26 34 45 2c 26 45 34 |.;. 23,4|,&4E,&E4|
|000053f0| 2c 26 34 45 2c 26 45 34 | 2c 26 34 45 2c 26 45 34 |,&4E,&E4|,&4E,&E4|
|00005400| 2c 26 34 45 2c 26 45 34 | 3a 20 f4 20 42 72 6f 77 |,&4E,&E4|: . Brow|
|00005410| 6e 20 20 3d 20 45 43 46 | 33 0d 1a cc 3b ef 20 32 |n = ECF|3...;. 2|
|00005420| 33 2c 35 2c 26 39 44 2c | 26 44 39 2c 26 39 44 2c |3,5,&9D,|&D9,&9D,|
|00005430| 26 44 39 2c 26 39 44 2c | 26 44 39 2c 26 39 44 2c |&D9,&9D,|&D9,&9D,|
|00005440| 26 44 39 3a 20 f4 20 43 | 72 65 61 6d 20 20 3d 20 |&D9: . C|ream = |
|00005450| 45 43 46 34 0d 1a d6 0b | e6 20 26 38 30 3a da 0d |ECF4....|. &80:..|
|00005460| 1a e0 0f f2 64 65 70 74 | 68 5f 73 6f 72 74 0d 1a |....dept|h_sort..|
|00005470| ea 12 f2 64 72 61 77 5f | 6d 6f 6c 65 63 75 6c 65 |...draw_|molecule|
|00005480| 0d 1a f4 1e c8 99 20 4f | 53 5f 53 4f 70 25 2c 52 |...... O|S_SOp%,R|
|00005490| 30 25 2c 52 31 25 2c 52 | 32 25 2c 52 33 25 0d 1a |0%,R1%,R|2%,R3%..|
|000054a0| fe 05 e1 0d 1b 08 05 3a | 0d 1b 12 17 dd 20 f2 72 |.......:|..... .r|
|000054b0| 6f 74 61 74 65 5f 58 61 | 78 69 73 28 64 25 29 0d |otate_Xa|xis(d%).|
|000054c0| 1b 1c 2d e7 20 64 25 3d | b9 20 8c 20 52 28 29 3d |..-. d%=|. . R()=|
|000054d0| 52 28 29 2e 52 6f 74 58 | 28 29 20 8b 20 52 28 29 |R().RotX|() . R()|
|000054e0| 3d 52 28 29 2e 52 6f 74 | 58 32 28 29 0d 1b 26 05 |=R().Rot|X2()..&.|
|000054f0| e1 0d 1b 30 05 3a 0d 1b | 3a 17 dd 20 f2 72 6f 74 |...0.:..|:.. .rot|
|00005500| 61 74 65 5f 59 61 78 69 | 73 28 64 25 29 0d 1b 44 |ate_Yaxi|s(d%)..D|
|00005510| 2d e7 20 64 25 3d b9 20 | 8c 20 52 28 29 3d 52 28 |-. d%=. |. R()=R(|
|00005520| 29 2e 52 6f 74 59 28 29 | 20 8b 20 52 28 29 3d 52 |).RotY()| . R()=R|
|00005530| 28 29 2e 52 6f 74 59 32 | 28 29 0d 1b 4e 05 e1 0d |().RotY2|()..N...|
|00005540| 1b 58 05 3a 0d 1b 62 17 | dd 20 f2 72 6f 74 61 74 |.X.:..b.|. .rotat|
|00005550| 65 5f 5a 61 78 69 73 28 | 64 25 29 0d 1b 6c 2d e7 |e_Zaxis(|d%)..l-.|
|00005560| 20 64 25 3d b9 20 8c 20 | 52 28 29 3d 52 28 29 2e | d%=. . |R()=R().|
|00005570| 52 6f 74 5a 28 29 20 8b | 20 52 28 29 3d 52 28 29 |RotZ() .| R()=R()|
|00005580| 2e 52 6f 74 5a 32 28 29 | 0d 1b 76 05 e1 0d 1b 80 |.RotZ2()|..v.....|
|00005590| 05 3a 0d 1b 8a 11 dd 20 | f2 64 72 69 76 65 72 28 |.:..... |.driver(|
|000055a0| 64 25 29 0d 1b 94 11 e7 | 20 64 72 69 76 65 72 25 |d%).....| driver%|
|000055b0| 3d b9 20 8c 0d 1b 9e 13 | e3 20 41 25 3d 31 20 b8 |=. .....|. A%=1 .|
|000055c0| 20 41 74 6f 6d 73 25 0d | 1b a8 3e e7 20 54 6f 72 | Atoms%.|..>. Tor|
|000055d0| 25 28 41 25 29 20 8c 20 | f2 72 6f 74 61 78 69 73 |%(A%) . |.rotaxis|
|000055e0| 28 52 28 41 25 2c 30 29 | 2c 52 28 41 25 2c 31 29 |(R(A%,0)|,R(A%,1)|
|000055f0| 2c 52 28 41 25 2c 32 29 | 2c 64 25 2c 64 78 2c 64 |,R(A%,2)|,d%,dx,d|
|00005600| 79 2c 64 7a 29 0d 1b b2 | 08 ed 20 41 25 0d 1b bc |y,dz)...|.. A%...|
|00005610| 05 cd 0d 1b c6 05 e1 0d | 1b d0 05 3a 0d 1b da 27 |........|...:...'|
|00005620| dd 20 f2 72 6f 74 61 78 | 69 73 28 f8 20 78 2c f8 |. .rotax|is(. x,.|
|00005630| 20 79 2c f8 20 7a 2c 64 | 25 2c 64 78 2c 64 79 2c | y,. z,d|%,dx,dy,|
|00005640| 64 7a 29 0d 1b e4 11 ea | 20 61 2c 62 2c 63 2c 75 |dz).....| a,b,c,u|
|00005650| 2c 76 2c 77 0d 1b ee 18 | 75 3d 78 2d 64 78 3a 76 |,v,w....|u=x-dx:v|
|00005660| 3d 79 2d 64 79 3a 77 3d | 7a 2d 64 7a 0d 1b f8 0a |=y-dy:w=|z-dz....|
|00005670| e7 20 64 25 20 8c 0d 1c | 02 63 61 3d 52 6f 74 41 |. d% ...|.ca=RotA|
|00005680| 31 31 2a 75 2b 52 6f 74 | 41 31 32 2a 76 2b 52 6f |11*u+Rot|A12*v+Ro|
|00005690| 74 41 31 33 2a 77 2b 64 | 78 3a 62 3d 52 6f 74 41 |tA13*w+d|x:b=RotA|
|000056a0| 32 31 2a 75 2b 52 6f 74 | 41 32 32 2a 76 2b 52 6f |21*u+Rot|A22*v+Ro|
|000056b0| 74 41 32 33 2a 77 2b 64 | 79 3a 63 3d 52 6f 74 41 |tA23*w+d|y:c=RotA|
|000056c0| 33 31 2a 75 2b 52 6f 74 | 41 33 32 2a 76 2b 52 6f |31*u+Rot|A32*v+Ro|
|000056d0| 74 41 33 33 2a 77 2b 64 | 7a 0d 1c 0c 05 cc 0d 1c |tA33*w+d|z.......|
|000056e0| 16 63 61 3d 52 6f 74 42 | 31 31 2a 75 2b 52 6f 74 |.ca=RotB|11*u+Rot|
|000056f0| 42 31 32 2a 76 2b 52 6f | 74 42 31 33 2a 77 2b 64 |B12*v+Ro|tB13*w+d|
|00005700| 78 3a 62 3d 52 6f 74 42 | 32 31 2a 75 2b 52 6f 74 |x:b=RotB|21*u+Rot|
|00005710| 42 32 32 2a 76 2b 52 6f | 74 42 32 33 2a 77 2b 64 |B22*v+Ro|tB23*w+d|
|00005720| 79 3a 63 3d 52 6f 74 42 | 33 31 2a 75 2b 52 6f 74 |y:c=RotB|31*u+Rot|
|00005730| 42 33 32 2a 76 2b 52 6f | 74 42 33 33 2a 77 2b 64 |B32*v+Ro|tB33*w+d|
|00005740| 7a 0d 1c 20 05 cd 0d 1c | 2a 0f 78 3d 61 3a 79 3d |z.. ....|*.x=a:y=|
|00005750| 62 3a 7a 3d 63 0d 1c 34 | 05 e1 0d 1c 3e 05 3a 0d |b:z=c..4|....>.:.|
|00005760| 1c 48 12 dd 20 f2 65 6e | 6c 61 72 67 65 28 64 25 |.H.. .en|large(d%|
|00005770| 29 0d 1c 52 11 ea 20 77 | 69 6e 64 25 2c 69 63 6f |)..R.. w|ind%,ico|
|00005780| 6e 25 0d 1c 5c 1c 77 69 | 6e 64 25 3d 63 6f 6e 73 |n%..\.wi|nd%=cons|
|00005790| 74 61 6e 74 73 25 3a 69 | 63 6f 6e 25 3d 34 0d 1c |tants%:i|con%=4..|
|000057a0| 66 22 e7 20 64 25 3d a3 | 20 8c 20 53 63 61 6c 65 |f". d%=.| . Scale|
|000057b0| 2b 3d 31 30 20 8b 20 53 | 63 61 6c 65 2d 3d 31 30 |+=10 . S|cale-=10|
|000057c0| 0d 1c 70 0e 70 72 69 6e | 74 66 25 3d 40 25 0d 1c |..p.prin|tf%=@%..|
|000057d0| 7a 10 40 25 3d 26 30 31 | 30 30 30 34 30 34 0d 1c |z.@%=&01|000404..|
|000057e0| 84 1f f2 73 65 74 76 61 | 72 69 63 6f 6e 28 69 63 |...setva|ricon(ic|
|000057f0| 6f 6e 25 2c c3 28 53 63 | 61 6c 65 29 29 0d 1c 8e |on%,.(Sc|ale))...|
|00005800| 0e 40 25 3d 70 72 69 6e | 74 66 25 0d 1c 98 05 e1 |.@%=prin|tf%.....|
|00005810| 0d 1c a2 05 3a 0d 1c ac | 11 dd 20 f2 73 68 72 69 |....:...|.. .shri|
|00005820| 6e 6b 28 64 25 29 0d 1c | b6 11 ea 20 77 69 6e 64 |nk(d%)..|... wind|
|00005830| 25 2c 69 63 6f 6e 25 0d | 1c c0 1c 77 69 6e 64 25 |%,icon%.|...wind%|
|00005840| 3d 63 6f 6e 73 74 61 6e | 74 73 25 3a 69 63 6f 6e |=constan|ts%:icon|
|00005850| 25 3d 34 0d 1c ca 22 e7 | 20 64 25 3d a3 20 8c 20 |%=4...".| d%=. . |
|00005860| 53 63 61 6c 65 2d 3d 31 | 30 20 8b 20 53 63 61 6c |Scale-=1|0 . Scal|
|00005870| 65 2b 3d 31 30 0d 1c d4 | 0e 70 72 69 6e 74 66 25 |e+=10...|.printf%|
|00005880| 3d 40 25 0d 1c de 10 40 | 25 3d 26 30 31 30 30 30 |=@%....@|%=&01000|
|00005890| 34 30 34 0d 1c e8 1f f2 | 73 65 74 76 61 72 69 63 |404.....|setvaric|
|000058a0| 6f 6e 28 69 63 6f 6e 25 | 2c c3 28 53 63 61 6c 65 |on(icon%|,.(Scale|
|000058b0| 29 29 0d 1c f2 0e 40 25 | 3d 70 72 69 6e 74 66 25 |))....@%|=printf%|
|000058c0| 0d 1c fc 05 e1 0d 1d 06 | 05 3a 0d 1d 10 19 dd 20 |........|.:..... |
|000058d0| f2 6d 6f 76 65 5f 74 6f | 5f 6f 72 69 67 69 6e 28 |.move_to|_origin(|
|000058e0| 53 25 29 0d 1d 1a 32 ea | 20 58 6d 69 6e 2c 58 6d |S%)...2.| Xmin,Xm|
|000058f0| 61 78 2c 59 6d 69 6e 2c | 59 6d 61 78 2c 5a 6d 69 |ax,Ymin,|Ymax,Zmi|
|00005900| 6e 2c 5a 6d 61 78 2c 41 | 25 2c 42 25 2c 44 58 2c |n,Zmax,A|%,B%,DX,|
|00005910| 44 59 2c 44 5a 0d 1d 24 | 3f 58 6d 69 6e 3d 31 45 |DY,DZ..$|?Xmin=1E|
|00005920| 36 3a 58 6d 61 78 3d 2d | 58 6d 69 6e 3a 59 6d 69 |6:Xmax=-|Xmin:Ymi|
|00005930| 6e 3d 31 45 36 3a 59 6d | 61 78 3d 2d 59 6d 69 6e |n=1E6:Ym|ax=-Ymin|
|00005940| 3a 5a 6d 69 6e 3d 31 45 | 36 3a 5a 6d 61 78 3d 2d |:Zmin=1E|6:Zmax=-|
|00005950| 5a 6d 69 6e 0d 1d 2e 0d | e7 20 53 25 3c 3e 30 20 |Zmin....|. S%<>0 |
|00005960| 8c 0d 1d 38 38 e3 20 41 | 25 3d 31 20 b8 20 41 74 |...88. A|%=1 . At|
|00005970| 6f 6d 73 25 3a e3 20 42 | 25 3d 30 20 b8 20 32 3a |oms%:. B|%=0 . 2:|
|00005980| 54 28 41 25 2c 42 25 29 | 3d 52 28 53 25 2c 42 25 |T(A%,B%)|=R(S%,B%|
|00005990| 29 3a ed 20 42 25 2c 41 | 25 0d 1d 42 05 cc 0d 1d |):. B%,A|%..B....|
|000059a0| 4c 13 e3 20 41 25 3d 31 | 20 b8 20 41 74 6f 6d 73 |L.. A%=1| . Atoms|
|000059b0| 25 0d 1d 56 21 e7 20 52 | 28 41 25 2c 30 29 3c 58 |%..V!. R|(A%,0)<X|
|000059c0| 6d 69 6e 20 8c 20 58 6d | 69 6e 3d 52 28 41 25 2c |min . Xm|in=R(A%,|
|000059d0| 30 29 0d 1d 60 21 e7 20 | 52 28 41 25 2c 30 29 3e |0)..`!. |R(A%,0)>|
|000059e0| 58 6d 61 78 20 8c 20 58 | 6d 61 78 3d 52 28 41 25 |Xmax . X|max=R(A%|
|000059f0| 2c 30 29 0d 1d 6a 21 e7 | 20 52 28 41 25 2c 31 29 |,0)..j!.| R(A%,1)|
|00005a00| 3c 59 6d 69 6e 20 8c 20 | 59 6d 69 6e 3d 52 28 41 |<Ymin . |Ymin=R(A|
|00005a10| 25 2c 31 29 0d 1d 74 21 | e7 20 52 28 41 25 2c 31 |%,1)..t!|. R(A%,1|
|00005a20| 29 3e 59 6d 61 78 20 8c | 20 59 6d 61 78 3d 52 28 |)>Ymax .| Ymax=R(|
|00005a30| 41 25 2c 31 29 0d 1d 7e | 21 e7 20 52 28 41 25 2c |A%,1)..~|!. R(A%,|
|00005a40| 32 29 3c 5a 6d 69 6e 20 | 8c 20 5a 6d 69 6e 3d 52 |2)<Zmin |. Zmin=R|
|00005a50| 28 41 25 2c 32 29 0d 1d | 88 21 e7 20 52 28 41 25 |(A%,2)..|.!. R(A%|
|00005a60| 2c 32 29 3e 5a 6d 61 78 | 20 8c 20 5a 6d 61 78 3d |,2)>Zmax| . Zmax=|
|00005a70| 52 28 41 25 2c 32 29 0d | 1d 92 08 ed 20 41 25 0d |R(A%,2).|.... A%.|
|00005a80| 1d 9c 36 44 58 3d 28 58 | 6d 69 6e 2b 58 6d 61 78 |..6DX=(X|min+Xmax|
|00005a90| 29 2f 32 3a 44 59 3d 28 | 59 6d 69 6e 2b 59 6d 61 |)/2:DY=(|Ymin+Yma|
|00005aa0| 78 29 2f 32 3a 44 5a 3d | 28 5a 6d 69 6e 2b 5a 6d |x)/2:DZ=|(Zmin+Zm|
|00005ab0| 61 78 29 2f 32 0d 1d a6 | 39 e3 20 41 25 3d 31 20 |ax)/2...|9. A%=1 |
|00005ac0| b8 20 41 74 6f 6d 73 25 | 3a 54 28 41 25 2c 30 29 |. Atoms%|:T(A%,0)|
|00005ad0| 3d 44 58 3a 54 28 41 25 | 2c 31 29 3d 44 59 3a 54 |=DX:T(A%|,1)=DY:T|
|00005ae0| 28 41 25 2c 32 29 3d 44 | 5a 3a ed 20 41 25 0d 1d |(A%,2)=D|Z:. A%..|
|00005af0| b0 05 cd 0d 1d ba 0f 52 | 28 29 3d 52 28 29 2d 54 |.......R|()=R()-T|
|00005b00| 28 29 0d 1d c4 05 e1 0d | 1d ce 05 3a 0d 1d d8 11 |()......|...:....|
|00005b10| dd 20 f2 64 65 70 74 68 | 5f 73 6f 72 74 0d 1d e2 |. .depth|_sort...|
|00005b20| 0b ea 20 41 25 2c 42 25 | 0d 1d ec 13 e3 20 41 25 |.. A%,B%|..... A%|
|00005b30| 3d 31 20 b8 20 41 74 6f | 6d 73 25 0d 1d f6 11 5a |=1 . Ato|ms%....Z|
|00005b40| 28 41 25 29 3d 52 28 41 | 25 2c 32 29 0d 1e 00 0f |(A%)=R(A|%,2)....|
|00005b50| 4f 25 28 41 25 2c 30 29 | 3d 41 25 0d 1e 0a 0e 4f |O%(A%,0)|=A%....O|
|00005b60| 25 28 41 25 2c 31 29 3d | 31 0d 1e 14 08 ed 20 41 |%(A%,1)=|1..... A|
|00005b70| 25 0d 1e 1e 13 e3 20 41 | 25 3d 31 20 b8 20 42 6f |%..... A|%=1 . Bo|
|00005b80| 6e 64 73 25 0d 1e 28 10 | 42 25 3d 41 25 2b 41 74 |nds%..(.|B%=A%+At|
|00005b90| 6f 6d 73 25 0d 1e 32 2f | 5a 28 42 25 29 3d 28 52 |oms%..2/|Z(B%)=(R|
|00005ba0| 28 42 6f 6e 64 25 28 41 | 25 2c 30 29 2c 32 29 2b |(Bond%(A|%,0),2)+|
|00005bb0| 52 28 42 6f 6e 64 25 28 | 41 25 2c 31 29 2c 32 29 |R(Bond%(|A%,1),2)|
|00005bc0| 29 2f 32 0d 1e 3c 0f 4f | 25 28 42 25 2c 30 29 3d |)/2..<.O|%(B%,0)=|
|00005bd0| 42 25 0d 1e 46 0e 4f 25 | 28 42 25 2c 31 29 3d 32 |B%..F.O%|(B%,1)=2|
|00005be0| 0d 1e 50 08 ed 20 41 25 | 0d 1e 5a 1a 4f 62 6a 65 |..P.. A%|..Z.Obje|
|00005bf0| 63 74 73 25 3d 41 74 6f | 6d 73 25 2b 42 6f 6e 64 |cts%=Ato|ms%+Bond|
|00005c00| 73 25 0d 1e 64 1c f2 73 | 6f 72 74 28 4f 62 6a 65 |s%..d..s|ort(Obje|
|00005c10| 63 74 73 25 2c 4f 25 28 | 29 2c 5a 28 29 29 0d 1e |cts%,O%(|),Z())..|
|00005c20| 6e 05 e1 0d 1e 78 05 3a | 0d 1e 82 18 dd 20 f2 73 |n....x.:|..... .s|
|00005c30| 6f 72 74 28 4e 25 2c 4f | 25 28 29 2c 5a 28 29 29 |ort(N%,O|%(),Z())|
|00005c40| 0d 1e 8c 29 ea 20 4c 6e | 32 2c 54 69 6e 79 2c 4d |...). Ln|2,Tiny,M|
|00005c50| 25 2c 4b 25 2c 4a 25 2c | 4c 25 2c 49 25 2c 4e 4e |%,K%,J%,|L%,I%,NN|
|00005c60| 25 2c 4c 6f 67 4e 42 32 | 25 0d 1e 96 17 f4 20 53 |%,LogNB2|%..... S|
|00005c70| 68 65 6c 6c 73 6f 72 74 | 20 72 6f 75 74 69 6e 65 |hellsort| routine|
|00005c80| 0d 1e a0 11 4c 6e 32 3d | 31 2e 34 34 32 36 39 35 |....Ln2=|1.442695|
|00005c90| 30 0d 1e aa 0f 54 69 6e | 79 3d 31 2e 30 45 2d 35 |0....Tin|y=1.0E-5|
|00005ca0| 0d 1e b4 1d 4c 6f 67 4e | 42 32 25 3d a8 28 aa 28 |....LogN|B2%=.(.(|
|00005cb0| 4e 25 29 2a 4c 6e 32 2b | 54 69 6e 79 29 0d 1e be |N%)*Ln2+|Tiny)...|
|00005cc0| 09 4d 25 3d 4e 25 0d 1e | c8 15 e3 20 4e 4e 25 3d |.M%=N%..|... NN%=|
|00005cd0| 31 20 b8 20 4c 6f 67 4e | 42 32 25 0d 1e d2 0b 4d |1 . LogN|B2%....M|
|00005ce0| 25 3d 4d 25 2f 32 0d 1e | dc 0c 4b 25 3d 4e 25 2d |%=M%/2..|..K%=N%-|
|00005cf0| 4d 25 0d 1e e6 0f e3 20 | 4a 25 3d 31 20 b8 20 4b |M%..... |J%=1 . K|
|00005d00| 25 0d 1e f0 09 49 25 3d | 4a 25 0d 1e fa 07 f4 20 |%....I%=|J%..... |
|00005d10| 33 0d 1f 04 0c 4c 25 3d | 49 25 2b 4d 25 0d 1f 0e |3....L%=|I%+M%...|
|00005d20| 15 e7 20 28 5a 28 4c 25 | 29 3c 5a 28 49 25 29 29 |.. (Z(L%|)<Z(I%))|
|00005d30| 20 8c 0d 1f 18 12 c8 94 | 20 5a 28 49 25 29 2c 5a | .......| Z(I%),Z|
|00005d40| 28 4c 25 29 0d 1f 22 18 | c8 94 20 4f 25 28 49 25 |(L%)..".|.. O%(I%|
|00005d50| 2c 30 29 2c 4f 25 28 4c | 25 2c 30 29 0d 1f 2c 18 |,0),O%(L|%,0)..,.|
|00005d60| c8 94 20 4f 25 28 49 25 | 2c 31 29 2c 4f 25 28 4c |.. O%(I%|,1),O%(L|
|00005d70| 25 2c 31 29 0d 1f 36 0c | 49 25 3d 49 25 2d 4d 25 |%,1)..6.|I%=I%-M%|
|00005d80| 0d 1f 40 12 e7 20 49 25 | 3e 3d 31 20 8c 20 8d 64 |..@.. I%|>=1 . .d|
|00005d90| 7a 5e 0d 1f 4a 05 cd 0d | 1f 54 08 ed 20 4a 25 0d |z^..J...|.T.. J%.|
|00005da0| 1f 5e 09 ed 20 4e 4e 25 | 0d 1f 68 05 e1 0d 1f 72 |.^.. NN%|..h....r|
|00005db0| 05 3a 0d 1f 7c 14 dd 20 | f2 64 72 61 77 5f 6d 6f |.:..|.. |.draw_mo|
|00005dc0| 6c 65 63 75 6c 65 0d 1f | 86 08 ea 20 41 25 0d 1f |lecule..|... A%..|
|00005dd0| 90 15 e3 20 41 25 3d 31 | 20 b8 20 4f 62 6a 65 63 |... A%=1| . Objec|
|00005de0| 74 73 25 0d 1f 9a 27 e7 | 20 4f 25 28 41 25 2c 31 |ts%...'.| O%(A%,1|
|00005df0| 29 3d 31 20 8c 20 f2 64 | 72 61 77 5f 61 74 6f 6d |)=1 . .d|raw_atom|
|00005e00| 28 4f 25 28 41 25 2c 30 | 29 29 0d 1f a4 50 e7 20 |(O%(A%,0|))...P. |
|00005e10| 4f 25 28 41 25 2c 31 29 | 3d 32 20 8c 20 f2 64 72 |O%(A%,1)|=2 . .dr|
|00005e20| 61 77 5f 62 6f 6e 64 28 | 42 6f 6e 64 25 28 4f 25 |aw_bond(|Bond%(O%|
|00005e30| 28 41 25 2c 30 29 2d 41 | 74 6f 6d 73 25 2c 30 29 |(A%,0)-A|toms%,0)|
|00005e40| 2c 42 6f 6e 64 25 28 4f | 25 28 41 25 2c 30 29 2d |,Bond%(O|%(A%,0)-|
|00005e50| 41 74 6f 6d 73 25 2c 31 | 29 29 0d 1f ae 08 ed 20 |Atoms%,1|))..... |
|00005e60| 41 25 0d 1f b8 05 e1 0d | 1f c2 05 3a 0d 1f cc 14 |A%......|...:....|
|00005e70| dd 20 f2 64 72 61 77 5f | 61 74 6f 6d 28 41 25 29 |. .draw_|atom(A%)|
|00005e80| 0d 1f d6 1c ea 20 42 25 | 2c 58 2c 59 2c 44 52 2c |..... B%|,X,Y,DR,|
|00005e90| 52 2c 42 61 63 6b 25 2c | 43 6f 6c 25 0d 1f e0 11 |R,Back%,|Col%....|
|00005ea0| 52 3d a4 72 61 64 69 75 | 73 28 41 25 29 0d 1f ea |R=.radiu|s(A%)...|
|00005eb0| 13 e7 20 53 65 6c 65 63 | 74 25 28 41 25 29 20 8c |.. Selec|t%(A%) .|
|00005ec0| 0d 1f f4 12 42 61 63 6b | 25 3d 31 34 3a 44 52 3d |....Back|%=14:DR=|
|00005ed0| 31 30 0d 1f fe 05 cc 0d | 20 08 10 42 61 63 6b 25 |10......| ..Back%|
|00005ee0| 3d 37 3a 44 52 3d 35 0d | 20 12 05 cd 0d 20 1c 14 |=7:DR=5.| .... ..|
|00005ef0| 43 6f 6c 25 3d a4 63 6f | 6c 6f 75 72 28 41 25 29 |Col%=.co|lour(A%)|
|00005f00| 0d 20 26 17 58 3d 52 28 | 41 25 2c 30 29 3a 59 3d |. &.X=R(|A%,0):Y=|
|00005f10| 52 28 41 25 2c 31 29 0d | 20 30 0b e6 20 42 61 63 |R(A%,1).| 0.. Bac|
|00005f20| 6b 25 0d 20 3a 20 c8 8f | 20 c8 90 20 a4 78 28 58 |k%. : ..| .. .x(X|
|00005f30| 29 2c a4 79 28 59 29 2c | 52 2a 53 63 61 6c 65 2b |),.y(Y),|R*Scale+|
|00005f40| 44 52 0d 20 44 2a e7 20 | 43 6f 6c 25 3e 3d 31 36 |DR. D*. |Col%>=16|
|00005f50| 20 8c 20 e6 20 31 36 2a | 28 43 6f 6c 25 2d 31 35 | . . 16*|(Col%-15|
|00005f60| 29 2c 30 20 8b 20 e6 20 | 43 6f 6c 25 0d 20 4e 1d |),0 . . |Col%. N.|
|00005f70| c8 8f 20 c8 90 20 a4 78 | 28 58 29 2c a4 79 28 59 |.. .. .x|(X),.y(Y|
|00005f80| 29 2c 52 2a 53 63 61 6c | 65 0d 20 58 05 e1 0d 20 |),R*Scal|e. X... |
|00005f90| 62 05 3a 0d 20 6c 17 dd | 20 f2 64 72 61 77 5f 62 |b.:. l..| .draw_b|
|00005fa0| 6f 6e 64 28 41 25 2c 42 | 25 29 0d 20 76 20 ea 20 |ond(A%,B|%). v . |
|00005fb0| 43 25 2c 52 31 2c 52 32 | 2c 62 2c 78 2c 79 2c 75 |C%,R1,R2|,b,x,y,u|
|00005fc0| 2c 76 2c 43 31 25 2c 43 | 32 25 0d 20 80 0f e7 20 |,v,C1%,C|2%. ... |
|00005fd0| 64 72 69 76 65 72 25 20 | 8c 0d 20 8a 3a e7 20 28 |driver% |.. .:. (|
|00005fe0| 41 25 3d 42 53 25 20 80 | 20 42 25 3d 42 45 25 29 |A%=BS% .| B%=BE%)|
|00005ff0| 20 84 20 28 41 25 3d 42 | 45 25 20 80 20 42 25 3d | . (A%=B|E% . B%=|
|00006000| 42 53 25 29 20 8c 20 43 | 25 3d 31 30 20 8b 20 43 |BS%) . C|%=10 . C|
|00006010| 25 3d 37 0d 20 94 05 cc | 0d 20 9e 08 43 25 3d 37 |%=7. ...|. ..C%=7|
|00006020| 0d 20 a8 05 cd 0d 20 b2 | 08 e6 20 43 25 0d 20 bc |. .... .|.. C%. .|
|00006030| 20 43 31 28 29 3d 52 28 | 41 25 2c 30 29 2c 52 28 | C1()=R(|A%,0),R(|
|00006040| 41 25 2c 31 29 2c 52 28 | 41 25 2c 32 29 0d 20 c6 |A%,1),R(|A%,2). .|
|00006050| 20 43 32 28 29 3d 52 28 | 42 25 2c 30 29 2c 52 28 | C2()=R(|B%,0),R(|
|00006060| 42 25 2c 31 29 2c 52 28 | 42 25 2c 32 29 0d 20 d0 |B%,1),R(|B%,2). .|
|00006070| 21 52 31 3d a4 72 61 64 | 69 75 73 28 41 25 29 3a |!R1=.rad|ius(A%):|
|00006080| 52 32 3d a4 72 61 64 69 | 75 73 28 42 25 29 0d 20 |R2=.radi|us(B%). |
|00006090| da 1e 6e 28 29 3d 43 32 | 28 29 2d 43 31 28 29 3a |..n()=C2|()-C1():|
|000060a0| 6e 28 29 3d 6e 28 29 2f | 83 6e 28 29 0d 20 e4 1e |n()=n()/|.n(). ..|
|000060b0| 44 31 28 29 3d 52 31 2a | 6e 28 29 3a 44 31 28 29 |D1()=R1*|n():D1()|
|000060c0| 3d 44 31 28 29 2b 43 31 | 28 29 0d 20 ee 1f 44 32 |=D1()+C1|(). ..D2|
|000060d0| 28 29 3d 2d 52 32 2a 6e | 28 29 3a 44 32 28 29 3d |()=-R2*n|():D2()=|
|000060e0| 44 32 28 29 2b 43 32 28 | 29 0d 20 f8 1e 6e 28 29 |D2()+C2(|). ..n()|
|000060f0| 3d 44 32 28 29 2d 44 31 | 28 29 3a 6e 28 29 3d 6e |=D2()-D1|():n()=n|
|00006100| 28 29 2f 83 6e 28 29 0d | 21 02 1d 62 3d 30 2e 30 |()/.n().|!..b=0.0|
|00006110| 33 3a 78 3d 2d 62 2a 6e | 28 31 29 3a 79 3d 62 2a |3:x=-b*n|(1):y=b*|
|00006120| 6e 28 30 29 0d 21 0c 55 | ec 20 a4 78 28 44 31 28 |n(0).!.U|. .x(D1(|
|00006130| 30 29 2d 78 29 2c a4 79 | 28 44 31 28 31 29 2d 79 |0)-x),.y|(D1(1)-y|
|00006140| 29 3a ec 20 a4 78 28 44 | 31 28 30 29 2b 78 29 2c |):. .x(D|1(0)+x),|
|00006150| a4 79 28 44 31 28 31 29 | 2b 79 29 3a f0 20 26 37 |.y(D1(1)|+y):. &7|
|00006160| 35 2c a4 78 28 44 32 28 | 30 29 2b 78 29 2c a4 79 |5,.x(D2(|0)+x),.y|
|00006170| 28 44 32 28 31 29 2b 79 | 29 0d 21 16 05 e1 0d 21 |(D2(1)+y|).!....!|
|00006180| 20 05 3a 0d 21 2a 17 dd | 20 a4 78 28 58 29 3d 36 | .:.!*..| .x(X)=6|
|00006190| 34 30 2b 53 63 61 6c 65 | 2a 58 0d 21 34 05 3a 0d |40+Scale|*X.!4.:.|
|000061a0| 21 3e 17 dd 20 a4 79 28 | 59 29 3d 35 31 32 2b 53 |!>.. .y(|Y)=512+S|
|000061b0| 63 61 6c 65 2a 59 0d 21 | 48 05 3a 0d 21 52 11 dd |cale*Y.!|H.:.!R..|
|000061c0| 20 a4 72 61 64 69 75 73 | 28 41 25 29 0d 21 5c 15 | .radius|(A%).!\.|
|000061d0| c8 8e 20 94 28 54 79 70 | 65 25 28 41 25 29 29 20 |.. .(Typ|e%(A%)) |
|000061e0| ca 0d 21 66 11 c9 20 31 | 2c 32 3a 20 3d 30 2e 32 |..!f.. 1|,2: =0.2|
|000061f0| 35 30 0d 21 70 1b c9 20 | 35 2c 32 30 2c 32 31 2c |50.!p.. |5,20,21,|
|00006200| 32 33 2c 32 34 3a 20 3d | 30 2e 31 32 30 0d 21 7a |23,24: =|0.120.!z|
|00006210| 11 c9 20 36 2c 37 3a 20 | 3d 30 2e 32 33 30 0d 21 |.. 6,7: |=0.230.!|
|00006220| 84 17 c9 20 38 2c 39 2c | 31 30 2c 33 37 3a 20 3d |... 8,9,|10,37: =|
|00006230| 30 2e 32 33 30 0d 21 8e | 0f c9 20 31 31 3a 20 3d |0.230.!.|.. 11: =|
|00006240| 30 2e 32 30 0d 21 98 0f | c9 20 31 32 3a 20 3d 30 |0.20.!..|. 12: =0|
|00006250| 2e 34 30 0d 21 a2 0f c9 | 20 31 33 3a 20 3d 30 2e |.40.!...| 13: =0.|
|00006260| 35 30 0d 21 ac 0f c9 20 | 31 34 3a 20 3d 30 2e 36 |50.!... |14: =0.6|
|00006270| 30 0d 21 b6 05 7f 0d 21 | c0 0a 3d 30 2e 32 30 30 |0.!....!|..=0.200|
|00006280| 0d 21 ca 05 cb 0d 21 d4 | 05 3a 0d 21 de 11 dd 20 |.!....!.|.:.!... |
|00006290| a4 63 6f 6c 6f 75 72 28 | 41 25 29 0d 21 e8 15 c8 |.colour(|A%).!...|
|000062a0| 8e 20 94 28 54 79 70 65 | 25 28 41 25 29 29 20 ca |. .(Type|%(A%)) .|
|000062b0| 0d 21 f2 0d c9 20 31 2c | 32 3a 20 3d 33 0d 21 fc |.!... 1,|2: =3.!.|
|000062c0| 15 c9 20 35 2c 32 31 2c | 32 33 2c 32 34 3a 20 3d |.. 5,21,|23,24: =|
|000062d0| 31 32 0d 22 06 0e c9 20 | 36 2c 37 3a 20 3d 31 31 |12."... |6,7: =11|
|000062e0| 0d 22 10 0d c9 20 32 30 | 3a 20 20 3d 39 0d 22 1a |."... 20|: =9.".|
|000062f0| 0d c9 20 31 31 3a 20 3d | 31 39 0d 22 24 0d c9 20 |.. 11: =|19."$.. |
|00006300| 31 32 3a 20 3d 31 37 0d | 22 2e 0d c9 20 31 33 3a |12: =17.|"... 13:|
|00006310| 20 3d 31 38 0d 22 38 0d | c9 20 31 34 3a 20 3d 31 | =18."8.|. 14: =1|
|00006320| 36 0d 22 42 15 c9 20 38 | 2c 39 2c 31 30 2c 33 37 |6."B.. 8|,9,10,37|
|00006330| 20 3a 20 3d 31 35 0d 22 | 4c 05 7f 0d 22 56 06 3d | : =15."|L..."V.=|
|00006340| 32 0d 22 60 05 cb 0d 22 | 6a 05 3a 0d 22 74 1a dd |2."`..."|j.:."t..|
|00006350| 20 a4 65 64 69 74 28 78 | 25 2c 79 25 2c 62 75 74 | .edit(x|%,y%,but|
|00006360| 74 6f 6e 25 29 0d 22 7e | 1e ea 20 58 2c 59 2c 78 |ton%)."~|.. X,Y,x|
|00006370| 30 25 2c 79 30 25 2c 41 | 25 2c 43 25 2c 44 2c 44 |0%,y0%,A|%,C%,D,D|
|00006380| 6d 69 6e 0d 22 88 0d 64 | 72 69 76 65 72 25 3d a3 |min."..d|river%=.|
|00006390| 0d 22 92 1e e7 20 b0 78 | 25 2c 79 25 29 3d 30 20 |."... .x|%,y%)=0 |
|000063a0| 84 20 b0 78 25 2c 79 25 | 29 3d 36 33 20 8c 0d 22 |. .x%,y%|)=63 .."|
|000063b0| 9c 22 53 65 6c 65 63 74 | 25 28 29 3d 30 3a 43 25 |."Select|%()=0:C%|
|000063c0| 3d 30 3a 6c 61 73 74 73 | 65 6c 65 63 74 25 3d 30 |=0:lasts|elect%=0|
|000063d0| 0d 22 a6 05 cc 0d 22 b0 | 27 74 65 6d 70 25 21 30 |."....".|'temp%!0|
|000063e0| 3d 6d 61 69 6e 25 3a c8 | 99 20 57 5f 47 65 74 57 |=main%:.|. W_GetW|
|000063f0| 49 6e 66 6f 25 2c 2c 74 | 65 6d 70 25 0d 22 ba 18 |Info%,,t|emp%."..|
+--------+-------------------------+-------------------------+--------+--------+
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