sci-chemistry/gromacs
The ultimate molecular dynamics simulation package
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alpha | amd64 | hppa | ia64 | ppc | ppc64 | sparc | x86 |
| 4.0 |
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| 3.3.3 |
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| 3.3.1-r1 |
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sci-chemistry/apbs
Software for evaluating the electrostatic properties of nanoscale biomolecular systems
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alpha | amd64 | hppa | ia64 | ppc | ppc64 | sparc | x86 |
| 1.0.0-r1 |
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| 0.5.1 |
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| 0.5.0 |
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sci-chemistry/pdb2pqr
pdb2pqr is an automated pipeline for performing Poisson-Boltzmann electrostatics calculations
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alpha | amd64 | hppa | ia64 | ppc | ppc64 | sparc | x86 |
| 1.3.0 |
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| 1.2.1 |
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| 1.1.2 |
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sci-chemistry/gtk-gamess
GTK-GAMESS is a graphical frontend for GAMESS, a General Atomic and Molecular Electronic Structure System
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alpha | amd64 | hppa | ia64 | ppc | ppc64 | sparc | x86 |
| 2.00 |
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sci-chemistry/platon
Versatile, SHELX-97 compatible, multipurpose crystallographic tool
07 Oct 2008; Markus Dittrich (
markusle)
platon-20080725.ebuild:
Removed linking against -lf2c with gfortran since platon misbehaves
otherwise (fixes bug #
240238). Thanks much to Honza Macháček
<Hloupy.Honza@centrum.cz> for his suggested improvements.
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alpha | amd64 | hppa | ia64 | ppc | ppc64 | sparc | x86 |
| 20080725 |
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| 20080702 |
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sci-chemistry/jmol
Jmol is a java molecular viever for 3-D chemical structures.
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alpha | amd64 | hppa | ia64 | ppc | ppc64 | sparc | x86 |
| 11.0.3-r1 |
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sci-chemistry/avogadro
Advanced molecular editor that uses Qt4 and OpenGL
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alpha | amd64 | hppa | ia64 | ppc | ppc64 | sparc | x86 |
| 0.8.1 |
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| 0.8.0 |
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| 0.6.1 |
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sci-chemistry/gchemutils
C++ classes and Gtk+-2 widgets related to chemistry
27 Aug 2008; Jeff Gardner (
je_fro)
gchemutils-0.8.7.ebuild:
goffice and libgsf need to be built with USE=gnome. check in pkg_setup and
die if this isn't the case Thanks to Robert Bridge in bug #
224261.
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alpha | amd64 | hppa | ia64 | ppc | ppc64 | sparc | x86 |
| 0.8.7 |
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sci-chemistry/cns
Crystallography and NMR System
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alpha | amd64 | hppa | ia64 | ppc | ppc64 | sparc | x86 |
| 1.2.1 |
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| 1.2-r1 |
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| 1.2 |
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| 1.1 |
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sci-chemistry/pymol
A Python-extensible molecular graphics system.
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alpha | amd64 | hppa | ia64 | ppc | ppc64 | sparc | x86 |
| 1.1-r1 |
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| 1.0-r1 |
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| 0.99_rc10 |
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Last update:
14 Oct 2008
15:07 UTC
Legend
- + - stable
- ~ - unstable
- M - hardmask