OpenMM library

run cmake with -DENABLE_MM=1
if you can successfully compile, check out the examples in the
modules/mol/mm/examples directory

to allow for alignment and RMSD calulation from different EntityViews

niklaus johner authored 10 years ago and BIOPZ-Johner Niklaus committed 10 years ago

The module is a flexible reimplementation of the HBPlus software.
It allows to work on structures and on trajectories.

When loading the structure, molck checks now for the file endings
.mmcif and .cif and invokes the corresponding reader. Everything
else is still expected to be in pdb format.

This function optimises the selection used for the superposition
by keeping only the atoms with an rmsf smaller than the threshold.

patch submitted by Mark Livingstone

/System/Library/Frameworks in addition to /Library/Frameworks