cremdock_plif

[DrrDom]

There is a missing dot between a chain id and a type of interaction in the names of PLIFs, e.g. ala144.ahydrophobic. Should be ala144.a.hydrophobic

[DrrDom]

There is another issue. If ncpu is greater than the number of input ligands, an error will occur. the number of cpu should be adjusted on the fly after invoking the script.

[avnikonenko]

When run cremdock_plif --ref_plif, the first column name (id) is missing from the header of the output CSV files.