Gentoo Packages /category/sci-chemistry/ http://www.gentoo.org/favicon.ico http://packages.gentoo.org/feed/category/sci-chemistry?arches=all Gentoo Packages2 2013-06-19T03:47:57Z <div> <span class="cpvstr">sci-chemistry/pymol</span>: <span class="description">A Python-extensible molecular graphics system</span> </div> http://packages.gentoo.org/package/sci-chemistry/pymol?ts=2013-06-18T12:20:13Z?arches=all Justin Lecher (jlec) http://cia.vc/stats/author/jlec 2013-06-18T12:20:13Z
*pymol-1.6.0.0-r1 (18 Jun 2013)
18 Jun 2013; Justin Lecher (jlec) +pymol-1.6.0.0-r1.ebuild,
+files/pymol-1.6.0.0-bg_rgb.patch, +files/pymol-1.6.0.0-labels.patch:
Add backports of upstream bugfixes
 <div> <span class="cpvstr">sci-chemistry/ccpn</span>: <span class="description">The Collaborative Computing Project for NMR</span> </div> http://packages.gentoo.org/package/sci-chemistry/ccpn?ts=2013-06-18T09:51:29Z?arches=all Justin Lecher (jlec) http://cia.vc/stats/author/jlec 2013-06-18T09:51:29Z
*ccpn-2.2.2_p130618 (18 Jun 2013)
18 Jun 2013; Justin Lecher (jlec) +ccpn-2.2.2_p130618.ebuild:
Add latest changes from upstream
 <div> <span class="cpvstr">sci-chemistry/theseus</span>: <span class="description">Maximum likelihood superpositioning and analysis of macromolecular structures</span> </div> http://packages.gentoo.org/package/sci-chemistry/theseus?ts=2013-06-06T14:17:55Z?arches=all Justin Lecher (jlec) http://cia.vc/stats/author/jlec 2013-06-06T14:17:55Z
*theseus-2.0.6 (06 Jun 2013)
06 Jun 2013; Justin Lecher (jlec) +theseus-2.0.6.ebuild:
Version BUmp; fix double prefix
 <div> <span class="cpvstr">sci-chemistry/arp-warp-bin</span>: <span class="description">Software for improvement and interpretation of crystallographic electron density maps</span> </div> http://packages.gentoo.org/package/sci-chemistry/arp-warp-bin?ts=2013-06-04T13:01:28Z?arches=all Justin Lecher (jlec) http://cia.vc/stats/author/jlec 2013-06-04T13:01:28Z
04 Jun 2013; Justin Lecher (jlec) arp-warp-bin-7.1-r2.ebuild:
Fix for correct usage of new python eclasses
 <div> <span class="cpvstr">sci-chemistry/pdb-tools</span>: <span class="description">Tools for manipulating and doing calculations on wwPDB macromolecule structure files</span> </div> http://packages.gentoo.org/package/sci-chemistry/pdb-tools?ts=2013-06-04T13:01:28Z?arches=all Justin Lecher (jlec) http://cia.vc/stats/author/jlec 2013-06-04T13:01:28Z
04 Jun 2013; Justin Lecher (jlec) pdb-tools-0.1.4-r4.ebuild:
Fix for correct usage of new python eclasses
 <div> <span class="cpvstr">sci-chemistry/parassign</span>: <span class="description">Assign protein nuclei solely on the basis of pseudocontact shifts (PCS)</span> </div> http://packages.gentoo.org/package/sci-chemistry/parassign?ts=2013-06-04T13:01:28Z?arches=all Justin Lecher (jlec) http://cia.vc/stats/author/jlec 2013-06-04T13:01:28Z
04 Jun 2013; Justin Lecher (jlec) parassign-20130522.ebuild:
Fix deps for new python eclasses
 <div> <span class="cpvstr">sci-chemistry/gromacs</span>: <span class="description">The ultimate molecular dynamics simulation package</span> </div> http://packages.gentoo.org/package/sci-chemistry/gromacs?ts=2013-06-01T21:36:28Z?arches=all Christoph Junghans (ottxor) http://cia.vc/stats/author/ottxor 2013-06-01T21:36:28Z
*gromacs-4.6.2 (01 Jun 2013)
01 Jun 2013; Christoph Junghans (ottxor) +gromacs-4.6.2.ebuild,
-files/gromacs-4.6.1-openmm.patch, -gromacs-4.6.1.ebuild:
version bump
 <div> <span class="cpvstr">sci-chemistry/xdsgui</span>: <span class="description">GUI for XDS that is supposed to help both novice and experienced users</span> </div> http://packages.gentoo.org/package/sci-chemistry/xdsgui?ts=2013-05-30T10:01:29Z?arches=all Justin Lecher (jlec) http://cia.vc/stats/author/jlec 2013-05-30T10:01:29Z
30 May 2013; Justin Lecher (jlec) xdsgui-0_p130530.ebuild:
Block QA Warning as package is prebuilt, add missing deo
 <div> <span class="cpvstr">sci-chemistry/xds-bin</span>: <span class="description">X-ray Detector Software for processing single-crystal monochromatic diffraction data</span> </div> http://packages.gentoo.org/package/sci-chemistry/xds-bin?ts=2013-05-30T09:42:03Z?arches=all Justin Lecher (jlec) http://cia.vc/stats/author/jlec 2013-05-30T09:42:03Z
*xds-bin-20130530 (30 May 2013)
30 May 2013; Justin Lecher (jlec) -xds-bin-20120926.ebuild,
+xds-bin-20130530.ebuild:
Version BUmp
 <div> <span class="cpvstr">sci-chemistry/xdsstat-bin</span>: <span class="description">Prints various statistics (that are not available from XDS itself)</span> </div> http://packages.gentoo.org/package/sci-chemistry/xdsstat-bin?ts=2013-05-30T09:32:50Z?arches=all Justin Lecher (jlec) http://cia.vc/stats/author/jlec 2013-05-30T09:32:50Z
*xdsstat-bin-100513 (30 May 2013)
30 May 2013; Justin Lecher (jlec) +xdsstat-bin-100513.ebuild,
+metadata.xml:
Move from sci overlay to tree