![]() Martinize.py (version 2.2, November 27 2012) Bug fix: Correctly merge topologies of multiple change in case of Martini 2.2P Bug fix: Correct error message when atoms are missing. Martinize.py (version 2.3, February 13 2013) Bug fix: Position restraints are correctly written out when multiple chains are merged. Bug fix: Cys-bond length and force constant Changed protein backbone constraints to bonds Inverted "define NO_RUBBER_BANDS" behavior. Martinize.py (version 2.4, August 18 2013) Bug fix: Fixed cases where Cys-Cys constraints were not recognized as such Removed warnings about beta status of Martini 2.2. Martinize.py (version 2.5, August 11 2015) Many, many code clean-ups and restructuring. Cys bonds in gro-files and pdb-files without chain identifier are now correctly identified. The option for the elastic bond lower cutoff (-el) is now correctly recognized. Martinize.py and python 3 version martinize.py (version 2.6, May 12 2016) The major updates are always added also here below: You can now also download the latest martinize from GitHub. If you would like to use this, send us an e-mail. If you want to make changes yourself or add a forcefield we have a modular version available. Any feedback is more than welcome! The script is "concatenated": all the different classes, modules and forcefields are in one file. The current version (2.x) has been used rather extensively, however it might still contain errors or bugs. ![]() The produced topology and structure files are in a format suitable for Gromacs. It replaces the old seq2itp, atom2cg and ElNeDyn scripts. Martinize is a python script to generate Martini protein topology and structure files based on an atomistic structure file. Last Updated: Thursday, 17 August 2017 11:59
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