- 19 Feb, 2016 1 commit
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Jason Swails authored
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- 18 Feb, 2016 1 commit
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Jason Swails authored
AmberTools sometimes installs Python modules.
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- 29 Jan, 2016 1 commit
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Jason Swails authored
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- 28 Jan, 2016 1 commit
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Jason Swails authored
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- 17 Oct, 2015 1 commit
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Jason Swails authored
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- 21 Sep, 2015 1 commit
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Jason Swails authored
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- 02 Jul, 2015 1 commit
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Jason Swails authored
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- 11 Jun, 2015 4 commits
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Jason Swails authored
can cause *weird* errors. Have setup.py trash these files, too.
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Jason Swails authored
This walks PATH and sys.path looking for parmed.py and xparmed.py, deleting them when it finds them.
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Jason Swails authored
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Jason Swails authored
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- 10 Jun, 2015 1 commit
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Jason Swails authored
to use an old version of Python.
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- 08 Jun, 2015 4 commits
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Jason Swails authored
ParmedTools.ParmedActions -> parmed.tools.actions
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Jason Swails authored
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Jason Swails authored
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Jason Swails authored
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- 06 May, 2015 1 commit
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Jason Swails authored
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- 01 May, 2015 1 commit
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Jason Swails authored
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- 30 Apr, 2015 1 commit
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Jason Swails authored
Get rid of legacy Python 2.4 support (didn't quite work all the way back to 2.4, anyway). Also shift to supporting a single Py2/Py3 code-base with help from the six module.
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- 25 Apr, 2015 1 commit
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Carlos Hernandez authored
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- 14 Apr, 2015 1 commit
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Brian Radak authored
tested and is mostly designed for a few specific tasks, such as adding or removing blocks of atoms from .coor and .vel files.
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- 22 Mar, 2015 1 commit
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Jason Swails authored
headers are not where distutils expects them to be. This module is optional, so don't have a missing dependency kill the install process.
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- 07 Mar, 2015 1 commit
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Jason Swails authored
This fixes builds when the Python version is <= 2.6 by simply omitting the openmm package in that case (since it has Py24/Py25-incompatible syntax).
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- 04 Mar, 2015 1 commit
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Jason Swails authored
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- 26 Feb, 2015 1 commit
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Jason Swails authored
Register them for automatic file detection.
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- 25 Feb, 2015 1 commit
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Jason Swails authored
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- 21 Feb, 2015 1 commit
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Jason Swails authored
for tighter integration with Amber.
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- 20 Feb, 2015 1 commit
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Jason Swails authored
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- 04 Feb, 2015 1 commit
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Jason Swails authored
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- 24 Jan, 2015 1 commit
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Jason Swails authored
Fix system creation with the Structure class and assign the nonbonded forces to the appropriate groups.
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- 14 Jan, 2015 1 commit
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Jason Swails authored
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- 13 Jan, 2015 1 commit
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Jason Swails authored
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- 08 Dec, 2014 1 commit
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Jason Swails authored
numpy cannot be imported.
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- 03 Dec, 2014 1 commit
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Jason Swails authored
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- 28 Oct, 2014 1 commit
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Jason Swails authored
fortranformat into AmberFormat to handle 'complex' Fortran formats (in standard prmtops, this includes the FORCE_FIELD_TYPE field in chamber-style topologies). Updates to chamber topologies to reflect "proper" handling of the FORCE_FIELD_TYPE section. Update the setup.py script to install the fortranformat package.
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- 27 Oct, 2014 1 commit
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Jason Swails authored
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- 24 Oct, 2014 2 commits
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Jason Swails authored
missing an INCREF somewhere...
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Jason Swails authored
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- 15 Aug, 2014 1 commit
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Jason Swails authored
- Skip the has_key fixer, since it breaks my ArgumentList class (and I don't use has_key anywhere else) - Make the Atom class in charmm/topologyobjects orderable
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- 12 Aug, 2014 1 commit
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Jason Swails authored
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