| Commit message (Expand) | Author | Age | Files | Lines |
* | An application for processing and curation of macromolecular structure data. | Donnie Berkholz | 2005-12-20 | 8 | -0/+419 |
* | Add a fixed version; works with other RCSB apps and libraries. | Donnie Berkholz | 2005-12-20 | 9 | -356/+394 |
* | Extract lots of information from Protein Data Bank files. | Donnie Berkholz | 2005-12-20 | 7 | -4/+298 |
* | New package providing rapid, accurate and fully automated calculation of path... | Donnie Berkholz | 2005-12-20 | 5 | -0/+76 |
* | virtual/glut, not media-libs/glut. | Donnie Berkholz | 2005-12-19 | 3 | -11/+14 |
* | Remove commented-out sections. | Donnie Berkholz | 2005-12-19 | 3 | -15/+8 |
* | Add a set of tools used by the PDB for processing and checking structure data. | Donnie Berkholz | 2005-12-19 | 6 | -0/+391 |
* | Prefer RESTRICT=mirror over nomirror, as portage code does. | Donnie Berkholz | 2005-12-18 | 3 | -5/+8 |
* | We can't mirror this. | Donnie Berkholz | 2005-12-18 | 3 | -4/+8 |
* | A new graphical NMR assignment and integration program for proteins, nucleic ... | Donnie Berkholz | 2005-12-18 | 6 | -0/+371 |
* | New electrostatic potential package: Macroscopic Electrostatics with Atomic D... | Donnie Berkholz | 2005-12-17 | 6 | -0/+128 |
* | A crystallographic real-space electron-density refinement and optimization pr... | Donnie Berkholz | 2005-12-16 | 6 | -0/+134 |
* | Thermal ellipsoid plot program for crystal structure illustrations. | Donnie Berkholz | 2005-12-16 | 4 | -0/+52 |
* | Another crystallography package. This one considers itself a versatile, SHELX... | Donnie Berkholz | 2005-12-16 | 6 | -0/+83 |
* | Fix SRC_URI. | Donnie Berkholz | 2005-12-15 | 3 | -6/+9 |
* | Fix license. The author informed me by email that it's intended to be freely ... | Donnie Berkholz | 2005-12-15 | 3 | -5/+9 |
* | MAID does automatic fitting of protein X-ray crystallography electron density... | Donnie Berkholz | 2005-12-15 | 7 | -0/+1080 |
* | Update rasmol script to fall back to xdpyinfo if xwininfo isn't available. De... | Donnie Berkholz | 2005-12-15 | 5 | -5/+91 |
* | (#115649) Add rman to modular X deps. | Donnie Berkholz | 2005-12-15 | 3 | -4/+9 |
* | Add modular X dependencies. | Donnie Berkholz | 2005-12-15 | 3 | -6/+21 |
* | marked apbs-0.3.2.ebuild as ~x86; changed maintainer to markusle@gentoo.org | Markus Dittrich | 2005-12-13 | 3 | -3/+10 |
* | Add modular X dependencies. | Donnie Berkholz | 2005-12-12 | 3 | -6/+18 |
* | This revision has the TDHF code enabled, which should now work properly with ... | Markus Dittrich | 2005-12-07 | 5 | -2/+278 |
* | Bump. Remove faulty libf2c dep; Add modular X deps. | Donnie Berkholz | 2005-12-06 | 6 | -2/+88 |
* | New version. GCC-4 and 64-bit fixes, as well as new libmopac7.h | Donnie Berkholz | 2005-12-06 | 5 | -9/+15 |
* | Don't overwrite the actual .int file, copy into ._cfg* for etc-update. | Donnie Berkholz | 2005-12-04 | 3 | -4/+7 |
* | Add hook script, to be run when installing to live host. | Donnie Berkholz | 2005-12-04 | 3 | -2/+40 |
* | This new revision installs the rungms wrapper into /usr/bin to avoid that use... | Markus Dittrich | 2005-12-04 | 6 | -2/+301 |
* | Turn 2 patches into a single one with 4 lines of changes. | Donnie Berkholz | 2005-12-04 | 6 | -174/+41 |
* | Add a Web interface to a number of computational chemistry programs. Ones in ... | Donnie Berkholz | 2005-12-04 | 9 | -0/+401 |
* | Note that tinker script has hardcoded blackdown in it. This is needed because... | Donnie Berkholz | 2005-12-03 | 3 | -4/+9 |
* | (#35945) New molecular mechanics package. Heavily modified ebuild based on th... | Donnie Berkholz | 2005-12-03 | 5 | -0/+156 |
* | Bumped GAMESS to most recent version and changed ebuild naming to properly re... | Markus Dittrich | 2005-12-03 | 6 | -27/+45 |
* | (#53333) New molecular graphics package for visualizing and analyzing structu... | Donnie Berkholz | 2005-12-03 | 6 | -0/+102 |
* | Fix up modular X deps -- add libXp and libXi, remove libX11 and libXt as redu... | Donnie Berkholz | 2005-12-02 | 3 | -6/+10 |
* | New GUI front-end for computational chemistry. | Donnie Berkholz | 2005-12-02 | 9 | -0/+161 |
* | Moved to sci-libs. | Donnie Berkholz | 2005-12-02 | 5 | -58/+0 |
* | libghemical moved from sci-chemistry to sci-libs. | Donnie Berkholz | 2005-12-02 | 3 | -12/+15 |
* | New molecular graphics package. GLUT license is for files/glutbitmap.h. | Donnie Berkholz | 2005-11-21 | 7 | -0/+181 |
* | Reworked install process to avoid sandbox violations. This fixes bug #113056 | Markus Dittrich | 2005-11-20 | 3 | -10/+9 |
* | Added italian metadata description. Bug #101730. | Diego Elio Pettenò | 2005-11-20 | 1 | -0/+3 |
* | New version with lots of bugfixes | Markus Dittrich | 2005-11-20 | 5 | -4/+125 |
* | Improved wrapper script | Olivier Fisette | 2005-11-15 | 6 | -2/+96 |
* | Changed charm dependency to sys-cluster/charm since charm has moved from sci-... | Markus Dittrich | 2005-11-10 | 4 | -6/+15 |
* | marked gamess-05272005.ebuild as ~x86 | Markus Dittrich | 2005-11-08 | 2 | -2/+5 |
* | Changed maintainter to markusle@gentoo.org | Markus Dittrich | 2005-11-03 | 2 | -3/+3 |
* | Remove depend on \!<app-text/ghostscript-7.07.1-r2 because we no longer have ... | Stefan Schweizer | 2005-11-02 | 3 | -16/+9 |
* | Initial import | Olivier Fisette | 2005-10-20 | 5 | -0/+81 |
* | New version | Olivier Fisette | 2005-10-20 | 4 | -13/+57 |
* | New version. Removing obsolete version. | Olivier Fisette | 2005-10-18 | 5 | -28/+41 |