Examples of parallel analysis scripts for Timeline, and other cases
-------------------------------------------------------------------
REQUIREMENTS: VMD Version 1.9.2 or greater
DESCRIPTION:
Parallel analysis examples that work with Timeline:
sasa - calculate solvent accessible surface area for all residues
crosscorr - calculate MDFF cross-correlation quality-of-fit score
for user-defined set of selections
The analysis runs produce .tml files suitable for reading by the
VMD TimeLine plugin. The .tml files contain per-residue or
per-user-selection analysis results for every specified time step.
Notes:
See each subdirectory README for a sample command to run a parallel analysis.
DOWNLOAD THE FILE:
parallel-analysis.tar.gz
AUTHOR:
Barry Isralewitz (barry@ks.uiuc.edu)