v. 2.19 Fri Nov 2 17:52:13 PDT 2007 - add probe_radius parameter for generated surfaces v. 2.18 Mon Mar 13 10:52:22 PST 2006 - update html docs - fix header reading errors - add support for GRASP discretecolour files (coldef parameter to readsurf command) - fix auto drawing bug with multiple models present - correct "grey 0.5" versus "grey" usage v. 2.17 Sat Oct 29 16:22:42 PDT 2005 - fix for windows crash when reading some input files - fix/cleanup for molauto so output and "auto" output appear similar - fix for contouring entire maps (Xiaohui Lu) v. 2.16 Sun Sep 11 19:44:37 PDT 2005 - update .spec file - remove slab from header command, make it a regular "set" command - new settings: frontslab/backslab - new setting: interiorcolour - for POVRay only, sets the interiorcolour of surfaces using the mesh2 syntax (only valid with single exterior colour as well) - fix postscript output with slab settings v. 2.15 Mon Jul 25 12:05:25 PDT 2005 - new setting: (nucleotide/peptide)_distance - distance allowed between C-alphas to be considered part of a chain (useful for chains with irregular geometry) - fix bug in mapping scalars to surfaces (Christian Schleberger) - fix bug in double_hash.c (Christian Schleberger) - fix selection bug in "from to" routine (Christian Schleberger) - error message on void molecule selection - change opengl code to use double sided lighting (more realistic) v. 2.14 Sat May 7 20:06:00 PDT 2005 - fix bug in reading DSN6 electron density files v. 2.13 Thu Apr 7 02:55:25 PDT 2005 - add peptide_distance/nucleotide_distance settings (used in determining distance cutoff for chains) (Douglas Theobald) - add console flag for mingw compilation (fixes output bug) (Gergely Katona) - add support for loading GTS surfaces via readsurf v. 2.12 Wed Mar 9 19:22:37 PST 2005 - fix a bug in configure script for OpenGL libraries (David Cooper) - fix a bug in raster3d surface output (David Cooper) - fix a bug in blobview output to povray (David Cooper) - fix a bug in the "auto" command (David Cooper) - add support for saving surfaces using "output" in the surface rendering call v. 2.11 Thu Jan 27 19:38:05 PST 2005 - simplify core scalar field code/allow any scalar field to output to df3 - fix a bug in applying scalars to surfaces (Christian Schleberger) - other minor fixes v 2.10 Tue Nov 30 17:09:14 PST 2004 - fix crash on reading surfaces without colors selected - fix a bug in the "auto" function - add some error checks/aborts in e- density open calls - add support for OpenDX scalar field format (APBS files) - add "using scalars " for mapping scalars onto a surface v 2.04 - fix POVRay output bug with transparency != 0.0 (Dirk Reinert) v 2.03 - new command: auto ; (like a built-in molauto) - add pkgconfig support for gts 0.7.3 - add material output to povray output (for inclusion of interior modifiers) - fix some povray output bugs - fix nucleo/protrings output (Douglas Theobold) - molauto now has a ecutoff flag for ss_hb settings (Douglas Theobold) - add ss_hb, coil_mode and energycutoff (Douglas Theobold) - fix some windows build problems under MinGW - fix some OS X build problems - speed up rendering of non-amino-acid types v 2.02 Mon Jul 12 23:28:42 PDT 2004 - raster3d label output now output as object type 10/11/12 (use label3d to render the output!) - fix label output for most modes (raster3d, GL/eps/gif/png/jpeg) so it works with freeglut and newer GLUT implementations - fix PDB HEADER record length restriction (Evan Sadler) - slight code cleanup - fix configure.ac to better accomodate Mac OS X (Evan Sadler, Steven Hunter) - add mapradius_property flag (Weikai Li) - allow surfaces to be drawn if no atoms present v 2.01 Fri May 28 03:29:00 PDT 2004 - more GTS patches: fix colour problems with GRASP surfaces - fix bonds/ball-and-stick output segfault v 2.00 Sat May 22 00:58:14 PDT 2004 - many minor patches/fixes to GTS related code - GTS 0.7.2 applied (gts_isosurface_tetra_bcl) v. 1.99 Wed Apr 21 00:35:58 PDT 2004 - incorporate GTS (gts.sf.net) 0.7.1 - incorporate autoconf - add gensurf command - add delaunay command - rehash surface handling code v. 1.72 Mon Mar 1 10:16:48 PST 2004 - fix OpenGL cylinders (Weikai Li) - fix object output code (David Cooper) v. 1.71 Sat Nov 22 23:43:22 PST 2003 - fix "notcovering" grasp option (Ed Pozharski) v. 1.70 Thu Sep 18 04:44:23 EDT 2003 - fix povray output with maptype 1 and mergemap - replace grasphigh/low with grasprange - fix GRASP coloring scheme (Chris Min) v. 1.69 Sun Jul 20 19:43:12 EDT 2003 - added support for "discretecolours" for grasp files (Bill Barton) v. 1.68 Tue Jul 8 19:20:50 EDT 2003 - fixed major MSMS surface bug (greatly improves rendering) v. 1.67 Mon Jul 7 11:30:31 EDT 2003 - orthographic camera setting default in POVRay output - change "mergedf3" to "mergemap" - GRASP changes: allow ranges outside min/max GRASP map values, apply mergemap (so multiple GRASP renderings of different types possible over the same area), add "notcovering" option (Ed Pozharski) - fix problem with ball-and-sticks intersecting in povray output if transparency > 0.0 (Ed Pozharski) v. 1.66 Tue May 20 11:37:56 EDT 2003 - include POVScript+ reference - mesh2 output cleanup - add molauto "-colsec" option (colour by secondary structure type, under control of a molscript macro) - SGI cc fixes (Doug Bailey) v. 1.65 Sun Mar 9 21:52:26 EST 2003 - mesh2 (POVRay specific) output mode for GRASP and MSMS surfaces - include html in releases (but no images, to save space) (Kevin Battaile) - SGI cc fixes (Doug Bailey) - minor fixes to colouring routines v. 1.62 Tue Jan 28 20:42:44 EST 2003 - Mac OSX fixes (J. Evan Sadler) - hsbreverseramp == hsbrampreverse (David Cooper) - add "mapclip" boolean (ignores normals < 0, so only "back" of a surface is displayed) v. 1.61 Mon Oct 21 19:10:40 EDT 2002 - speed/fix up vertex clustering a ton (big thanks to David Cooper for pointing this out) - revamp/fix sorting routine (quicksort -> mergesort) v. 1.60 Sun Oct 13 14:22:31 EDT 2002 - add a vertex clustering (aka blending) routine (modified using the "mapthresh" variable) v. 1.53 Thu Sep 26 23:10:06 EDT 2002 - further DSN6 updates for big endian machines v. 1.52 Thu Sep 26 01:27:16 EDT 2002 - fix that annoying "the map doesn't look like its supposed to" DSN6 bug v. 1.51 Fri Aug 2 10:54:06 EDT 2002 - fix a map extent bug (thanks to Kevin Battaile for pointing this out) - update file handling calls v. 1.5 Mon Jul 29 00:19:00 EDT 2002 - fix a DF3 file import glitch in OpenGL mode - marching tetrahedra now uses a body-centered cubic lattice (Comput. and Graphics, Vol. 22(1) pp. 83-90, 1998.) v. 1.41 Thu Jul 11 14:51:56 EDT 2002 - add "axesrad" variable to change principal axes radius - fixes for Tru64's cc compiler (thanks to Stefan Backstrom for pointing this out) - add "deletesurf" command - minor updates to coincide w/POVRay 3.5 (primarily camera settings to keep RHS) v. 1.40 Mon Jun 10 23:16:00 EDT 2002 - added MSMS feature: MSMS maps can be drawn using potentials or hydrophobicity (based on nearest amino acid from a surface vertex, generated from MSMS' pdb_to_xyzrn output) - added "blobview" - CPK spheres are merged in povray so surface is continuous v. 1.35 Sun Jun 2 01:09:43 EDT 2002 - fixed scalar field linear interpolation (so redundant or useless triangles should hopefully be weeded out) - non-positive definite ellipsoids NOT drawn (also generates a warning dumped to stderr) - atom U matrix preserved between calls (so even if an atom is drawn multiple times, it will appear correctly every time) - include MacOSX Makefiles - minor fixes (fix argument passing to avoid compiler warnings) v. 1.34 Tue May 21 16:51:02 EDT 2002 - change mapramp settings for GRASP output - include a "through" statement in mapramp v. 1.33 Tue May 21 01:40:57 EDT 2002 - rehash readgrasp/drawgrasp -> readsurf/drawsurf - primitive MSMS support - allow GRASP surfaces to be colour scaled locally (set grasplow/grasphigh) v. 1.32 Thu May 16 03:01:12 EDT 2002 - update Makefiles for windows MinGW environment - minor bugfixes to allow windows compilation - another GRASP fix (matrix improperly initalized) v. 1.31 Tue May 14 17:41:11 EDT 2002 - fix "assertion `colour_valid_state (src)' failed." bug when maptype=0 - update rpm specfile to choose either redhat 7.3 (XFree86 glut) or earlier versions (Mesa) - requires hand editing of the specfile v. 1.3 Wed May 8 10:49:47 EDT 2002 - fix segfault when sometimes drawing "maptype 1" surfaces - fix outdated GIF output - fix when reading a pdb *after* a rotation tranformation and then drawing anisotropically - fix when reading a GRASP map *after* a rotation tranformation and then drawing - kludge for when multiple DF3 file outputs over like areas results in CSG intersection operations (i.e. only one of the two files visible) v. 1.21 Tue Apr 16 15:28:24 EDT 2002 - fixed an "I'm an idiot" problem in GRASP output - fixed povray mesh output so triangle textures are now applied (resulting in *greatly* improved surface textures) - included an "unpatch_source.sh" for easy deinstall/reinstall across patchsets v. 1.2 Wed Mar 20 22:47:01 EST 2002 - support for GRASP maps - filled rings support (a la rings3d from raster3d) - split BSET command to BSURF and BAXES commands - rehashed linedmap/df3dump to MAPTYPE command - map contouring extent bugfix (thanks to G J Swaminathan) - improved OpenGL aniso B support/updated memory functions - minor povray patches (degenerate triangle fix) - pseudo VRML and postscript aniso B support (i.e. principal axes output only) v. 1.1 - DF3 output support - new BSET option - various minor patches... v. 1.0 Wed Feb 20 21:11:13 EST 2002 - fixed marching tetrahedra algorithm (surface normals incorrect) (thanks to Warren DeLano for pointing this out) - OpenGL mode now shows surface rendering (if linedmap off) - command switch to turn off vertex normals - various minor patches... v. 0.9 initial release