constrainmol
A package to update the coordinates of molecular systems to match bond-length constraints.
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0.1.0
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Description
constrainmol is a package to update the coordinates of a molecular system to match the specified bond lengths. The package is designed to work with ParmEd and interface with the MoSDeF tools https://mosdef.org.
About
Summary
A package to update the coordinates of molecular systems to match bond-length constraints.
Last Updated
Nov 12, 2020 at 19:38
License
BSD-3-Clause
GitHub Repository
https://github.com/rsdefever/constrainmolDocumentation
https://github.com/rsdefever/constrainmol