moldeck

moldeck is a private molecular modelling workflow package by Koji Okuwaki: generators and analysers for coarse-grained / DPD input, molecular fragmentation, crystal and amorphous model building, and enhanced-sampling and binding-free-energy workflows.

This name is registered by the author. It is not a public distribution.

This release intentionally contains no importable modules — installing it gives you nothing but this description, and it will not shadow a real moldeck installation.

Getting moldeck

moldeck is distributed privately, as an archive, to individually approved recipients. It is proprietary: reuse, redistribution and modification require the author's prior written permission. Please contact the author if you have a reason to use it.

Public counterpart

The author's public package is abmptools (Apache-2.0) — pre/post-processing and analysis for ABINIT-MP Fragment Molecular Orbital calculations, plus all-atom MD utilities. moldeck depends on abmptools; the dependency runs one way only.

If you are looking for something to install, you want abmptools.