MEPSAnd: minimum energy path surface analysis over n-dimensional surfaces.
other · Level V
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- Record sourced from PubMed, PMID 31418769.
- Also identified by DOI 10.1093/bioinformatics/btz649.
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Abstract
n-dimensional energy surfaces are becoming computationally accessible, yet interpreting their information is not straightforward. We present minimum energy path surface analysis over n-dimensional surfaces (MEPSAnd), an open source GUI-based program that natively calculates minimum energy paths across energy surfaces of any number of dimensions. Among other features, MEPSAnd can compute the path through lowest barriers and automatically provide a set of alternative paths. MEPSAnd offers distinct plotting solutions as well as direct python scripting. MEPSAnd is freely available (under GPLv3 license) at: http://bioweb.cbm.uam.es/software/MEPSAnd/. Supplementary data are available at Bioinformatics online.
Medical subject headings
- Software