pmx: Automated setup and analysis for alchemical perturbations
EC| BioExcel-3
Behera, Sudarshan; Gapsys, Vytautas; de Groot, Bert;
pmx: Automated setup and analysis for alchemical perturbations
pmx (formerly pymacs) has started as a small bunch of classes to read structure files such as pdb or gro and trajectory data in gromacs xtc format. Over the years it has been extended towards a versatile (bio-) molecular structure manipulation package with some additional functionalities, e.g. gromacs file parsers and scripts for setup and analysis of free energy calculations.
- Max Planck Institute for Multidisciplinary Sciences Germany
- Janssen (Belgium) Belgium
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selected citations
Citations provided by BIP!
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
Citations provided by BIP!popularityPopularity provided by BIP!
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
Popularity provided by BIP! 0
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