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Text File | 1994-10-28 | 12.8 KB | 287 lines | [TEXT/ttxt] |
- [06/06/94] raswin.c rasmol.h molecule.c render.c
- Completed port of RasMol v2.4 to Windows NT. Thanks to
- David Stranz and David Digby.
-
- [05/06/94] outfile.c
- Corrected bug in generating Vector Postscript in RasWin,
- resulting in the image appearing inverted on the page.
- Thanks to Tomasz Heyduk.
-
- [01/06/94] raswin.c raswin.rc raswin.idm
- Added CHARMm format files to the RasWin file open dialog box
- and added the "Strands" menu item to the "Display" menu.
-
- [01/06/94] outfile.c transfor.c transfor.h
- Optimised representation of molecule in generated RasMol
- script files by detecting "cpk" colours and VdW radius.
-
- [31/05/94] outfile.c
- Added complete support for writing out the current molecule
- representation in a RasMol script file using "write script".
-
- [31/05/94] molecule.c transfor.c
- Improved lazy calculation of hydrogen bonding and disulphide
- bridges, hence "hbonds off" and "colour hbonds none" no longer
- force evaluation.
-
- [27/05/94] command.c render.c transfor.c
- Modified the DisplayRibbon routine to allow the simultaneous
- display of strands and ribbons. Removed the "set ribbons"
- command and replaced it with "ribbons" and "strands".
-
- [26/05/94] transfor.c render.c
- Changed the way that ribbons are selected and rendered in
- different colours. This brings the ribbon rendering in line
- with alpha carbon position and colouring.
-
- [23/05/94] molecule.c
- Corrected bug in LoadAlchemyMolecule that resulted in molecules
- having the wrong chirality. Thanks to Mikhail Matrosovich.
-
- [20/05/94] outfile.c
- Improved the Molscript script file interface. The RasMol
- "write molscript" command now stores the scaling, translation
- and slabbing (z-clipping) information. Thanks to Kevin Gardner.
-
- [20/05/94] raswin.c
- Corrected bug that caused the DIB copied to the clipboard or
- DDE'ed to another application to have the wrong colour map.
-
- [19/05/94] molecule.c
- Corrected bug in RasMol that caused it to report far too many
- ladders in DSSP. Changed references to "Ladders" to "Strands".
-
- [19/05/94] molecule.c molecule.h command.c tokens.h
- Added support for CHARMm format co-ordinate files. Thanks to
- Charles Brooks.
-
- [18/05/94] molecule.c
- Removed interchain bonding. This makes loading a multi-chain
- protein faster and allows for RMS fitting with RasMol.
-
- [18/05/94] command.c tokens.h transfor.c transfor.h render.c pixutils.c
- Added a second colour to RasMol strands ribbons. Hence, the
- command "colour ribbons1 blue" and "colour ribbons2 red"
- draws blue ribbons with the outmost stands in red.
-
- [17/05/94] command.c render.c render.h
- Renamed the command "set dots" to "set radius" and added the
- command "set solvent" which controls the dot surface as
- either VDW or solvent accessible. The radius controls either
- the VDW radius or the Solvent Probe Sphere radius.
-
- [16/05/94] raswin.c
- Added scroll bar and terminal history to the RasMol command
- line window. Improved scrolling in resized windows.
-
- [12/05/94] raswin.c rasmol.c mswin31.c transfor.c
- Corrected bug in RasMol that resulted in the "specular",
- "specpower" and "ambient" parameters not being reset by a
- RasMol "zap" command and fixed initial RasWin CMap.
-
- [12/05/94] command.c tokens.h abstree.c abstree.h
- Added the atom property "elemno" that uniquely identifies
- each atoms element type, hence "select elemno=26" identifies
- all sulphur atoms.
-
- [12/05/94] molecule.c
- Added a test to check if the PDB x, y and z co-ordinates of
- an atom are 9999.000 indicating an XPLOR pseudo atom. Thanks
- to Chris Littler and Harren Jhoti.
-
- [11/05/94] command.c render.c render.h
- Added the command "set dots <value>" to set the probe
- sphere radius for calculating the solvent accessible
- surface of a protein.
-
- [11/05/94] render.c
- Corrected bug when drawing thin cylinders since the change
- to DrawTwinLine for axes, bounding box and unit cell.
-
- [10/05/94] raswin.c
- Corrected bug in the DDE formating of the picked atoms
- co-ordinates.
-
- [10/05/94] molecule.c
- Fixed bug in RasMol that incorrectly determined the lowest
- residue number in PDB files that are unordered. Thanks to
- Ken Davis.
-
- [09/05/94] molecule.c molecule.h command.c render.c tokens.h
- Fully implemented the RasMol commands "set unitcell" and
- "show symmetry", these now take the crystal symmetry
- information from the CRYST1 record of a PDB file.
-
- [03/05/94] render.c
- Corrected RasWin problem in DisplayRibbon caused by rounding
- when interpolating Z-coordinates with large ZOffset.
-
- [03/05/94] transfor.c
- Corrected RasWin overflow bug in ScaleColourAttrib that
- caused `hot' atoms to be displayed black instead of red.
-
- [03/05/94] rasmol.doc
- Corrected several typographic mistakes and errors within
- the rasmol documentation. Thanks to Naoum Salame.
-
- [29/04/94] raswin.c mswin31.c
- Managed to trace a RasWin colour map initialisation problem
- that occasionally caused RasWin to crash with a GDI error or
- start with wrong colour background. Thanks to Dave Digby.
-
- [28/04/94] x11win.c
- Corrected buffer char types in x11win.c that were causing
- warnings on pedantic compilers. Thanks to Ethan Merritt.
-
- [20/04/94] outfile.c
- Added support for vector PostScript output of dot surfaces.
-
- [20/04/94] render.c render.h command.c transfor.c transfor.h tokens.h
- Added a Van der Waals dot surface representation to RasMol.
- The command "dots <boolean>" enables and disables a dot
- surface of the currently selected atoms. "dots <value>" can
- control the dot density, "colour dots" colours the whole
- dot surface a given colour [the default is taken from atoms]
-
- [20/04/94] rasmol.c
- Corrected bug with including <unistd.h> on Evans & Sutherland
- ESV workstations.
-
- [19/04/94] render.c
- Solved a bug in IdentifyAtom that refused to identify picked
- non-connected atoms when bonds are being displayed.
-
- [19/04/94] molecule.c
- Corrected bug in loading alchemy format files. Atom serial
- numbers were incorrect resulting in incorrect bonding. Thanks
- to Ben Gaskins.
-
- [18/04/94] render.c render.h tokens.h command.c
- Added the commands "set axes" and "set boundingbox" to display
- the co-ordinate axes and molecule bounding box on screen.
-
- [18/04/94] pixutils.c
- Corrected bug in routines `ClipLine' and `ClipVector' which
- caused lines that clipped the bottom of the screen to bend.
-
- [18/04/94] raswin.c
- Corrected bug in the DDE transfer of CF_DIB objects for the
- DDE "Image" item. Thanks to Dave Digby and Ken Davis.
-
- [15/04/94] rasmol.c raswin.c abstree.h transfor.c molecule.c molecule.h
- Better support for the display of small molecules. Smaller
- bond cylinder radius for `sticks' images of molecules with
- less than 256 atoms, and use unadjusted Van der Waals radius
- for molecules containing explicit hydrogen atoms.
-
- [15/04/94] molecule.c
- RasMol now uses the connectivity specified in PDB CONECT
- records when displaying molecules with less than 256 atoms,
- i.e. small compounds. Thanks to Brian Dunford-Shore.
-
- [14/04/94] rasmol.h raswin.c
- Extended the range of items exported by DDE to include the
- picked atom's co-ordinates and the image being drawn on
- the screen (transfered as CF_DIB).
-
- [13/04/94] raswin.c
- Improved the processing of WM_SIZE handling by increasing
- XRange to be long aligned rather than decreasing it. This
- avoids the occasional black line down the side of the screen.
-
- [13/04/94] transfor.c
- Corrected bug in transfor.c that cleared more entries in
- in the StructShade table than there were. This sometimes
- caused RasMol to crash later during keyword lookup.
-
- [12/04/94] rasmol.c
- Changed the TERMIOS handling section to support FreeBSD1.1
- using XFree2.x. Special thanks to Pedro A M Vazquez.
-
- [11/04/94] molecule.c
- Corrected bug in RasMol that caused residues with different
- insertion codes to be placed in the same group. They're now
- placed in consecutive Groups but with the same serial number
- hence may be "renumbered". Thanks to Anne Cleasby.
-
- [07/04/94] molecule.c
- Corrected bug in sizing molecule read from an MDL Mol file.
-
- [05/04/94] molecule.c molecule.h command.c tokens.h raswin.c rasmol.c
- Added support for reading in files in Molecular Design Ltd's
- (MDL) Mol file format.
-
- [30/03/94] rasmol.doc
- Corrected HTML bug that caused the NCSA PC Mosiaic viewer to
- crash when displaying rasmol.html.
-
- [28/03/94] pixutils.c
- Corrected a bug in RenderPolygon that caused a floating point
- division by zero error and huge/far segment problems on the
- IBM PC.
-
- [25/03/94] outfile.c
- Finished implementing correctly intersecting spheres when
- outputing vector postscript. However, this may cause
- problems for low memory laser printers.
-
- [23/03/94] transfor.c
- Corrected bug that set the default scale too large for very
- small molecules.
-
- [22/03/94] molecule.c
- Handle incompletely specificed @<TRIPOS>MOLECULE records in
- Sybyl Mol2 files such as those exported from InSight. Handle
- `small molecule' atom names (containing serial numbers) in
- PDB files. Thanks to Martin Hargreaves
-
- [18/03/94] pixutils.c
- Improved the polygon rendering algorithm. RasMol now displays
- solid ribbons as gouraud rather than constant normal shaded
- polygons.
-
- [18/03/94] rasmol.c
- Added the command line options "-pdb", "-alchemy", "-mol2"
- and "-xyz" to specify the format of the file given on the
- command line.
-
- [17/03/94] molecule.h command.h
- Increased the maximum filename length from 80 to 256 chars.
-
- [15/03/94] outfile.c outfile.c command.c
- Improved the quality of "vectps" output. RasMol now correctly
- handles intersection of spheres in vector PostScript output.
- The use of `cartoon' outlines is now controlled by the
- "set vectps <boolean>" command.
-
- [14/03/94] x11win.c
- Change Visual detection code for 24bit and 32bit displays to
- support both TrueColor and DirectColor. This adds support for
- the HP 735 CRX-24. Special Thanks to Thomas Lew.
-
- [11/03/94] outfile.c
- Improved speed of vector PostScript printing by performing
- sphere and bond culling before sorting/generating output.
-
- [11/03/94] molecule.c molecule.h command.c tokens.h raswin.c
- Added support for MSC XMOL's XYZ format files.
-
- [10/03/94] molecule.c molecule.h command.c tokens.h raswin.c
- Added support for Sybyl .mol2 file format for reading in
- a file (i.e. "load mol2"). Read small molecule connectivity
- from "alchemy" and "mol2" files, if it exists.
-
- [09/03/94] x11win.c
- Allow the EIGHTBIT version of RasMol to display on 8-bit
- grey-scale X displays. Special thanks to Gerald Loeffler.
-
- [09/03/94] molecule.c
- Allow backbone traces to be drawn to unknown residues
- that contain an alpha carbon.
-
- [04/03/94] !Announced the public release of RasMol and RasWin version
- 2.3, available by anonymous FTP from ftp.dcs.ed.ac.uk
- [129.215.160.5] in the directory /pub/rasmol. The announcement
- was made in both bionet.software, bionet.announce, sci.bio,
- sci.chem, comp.graphics.visualisation newsgroups.
-