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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