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cryststat: A utility to find averages and concentration parameters for a model of the pair distribution function of distances, bond orientations, relative orientations and internal degrees of freedom given a reference set of peaks (from getpeaks) and a molecular dynamics trajectory.

Download: cryststat.tgz

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copcalc: A utility to calculate crystal order parameters for a given geometry.

Download: copcalc.tgz

cop2pdb: A visualization tool for crystal order parameters.

Download: cop2pdb.tgz

pkt2pdb: A visualization tool for the pair distribution function obtained by getpeaks.

Download: pkt2pdb.tgz

smcv: Contains classes to use the string method in collective variables using crystal order parameters.

Download: smcv.tgz

restforce: A utility to calculate the average restraint forces from a restrained molecular dynamics simulation using crystal order parameters.

Download: restforce.tgz

smcvstep: A utility to carry out steps of the string method in collective variables. Originally written to work with crystal order parameters, but can be easily modified to use any set of order parameters by changing the definition of the class opdfile (see smcv).

Download: smcvstep.tgz

opd2cop: A visualization tool for restraint forces from restrained molecular dynamics simulations using crystal order parameters.

Download: opd2cop.tgz