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Scripts to assess sampling convergence and exhaustiveness

Home Page: https://www.ncbi.nlm.nih.gov/pubmed/29211988

License: GNU General Public License v2.0

Python 90.29% Gnuplot 9.71%

imp-sampcon's Introduction

imp-sampcon

These scripts implement the sampling exhaustiveness test described in Viswanath et al, 2017. The protocol is primarily designed to work with models generated by the Integrative Modeling Platform (IMP), but can probably be adapted for other systems.

Dependencies:

pyRMSD is needed. (This is a fork of the original pyRMSD - which is no longer maintained - to fix bugs and add Python 3 support.)

In the Sali lab, pyRMSD is already built, so can be used with module load python2/pyrmsd or module load python3/pyrmsd.

Usage:

For a full demonstration of the protocol, see its usage in IMP's actin modeling tutorial.

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