search

ReliaSolve / Molprobity2

0 stars 0 forks source link

Enable the user to specify restraints (ligand) files for Probe and Reduce #145

Closed russell-taylor closed 1 year ago

russell-taylor commented 3 years ago

The Program Template can be told that it can accept restraints files in addition to data files. When this is done, the user can specify them on the command line and they will be added to the ones used to parse the program.

russell-taylor commented 1 year ago

This is handled by the Program Template.