Res confs.py

RMSD of conformers in a residue - by Junjun

This program prints out the RMSD between the specified conformer and other conformers in the same residue.

Synopsis res_confs.py IDstring1 [IDstring2 [IDstring3 ...]]

Description IDstring1 is the identification string that appeared in the ATOM line of that conformer in step3_out.pdb IDstring2 is optional identification string to help uniquely identify a conformer IDstring3 and more are more optional identification string to help uniquely identify a conformer This program expects file "step3_out.pdb" so it must be called in a working directory. The ID strings are not sensitive to the order.

Example res_confs.py res_confs.py GLU A0073_051