This tool converts an AMBER parameter file into a Playmol script.
Example:
amber2playmol.py < /opt/amber17/dat/leap/parm/gaff.dat > gaff.playmol
This tool converts a PQR file into a Playmol script. The format of a PQR file is similar to the PDB file format, but with charge and radius replacing the fields occupancy and tempFactor, respectively. The fields are:
recordName serial atomName residueName chainID residueNumber x y z charge radius atomType
PQR files can be created using Avogadro by adding the extension .pqr when saving a file after
choosing Save as... in the menu entry file. AMBER's package Antechamber is also able to save
files in the PQR format by using the option -fo mpdb.
Example:
pqr2playmol.py < ibuprofen.pqr > ibuprofen.playmol