Re: [PyMOL] How to find RMSD values using fitting.py using Shell script

2015-07-11 Thread David Hall
I assume you are referring to http://pldserver1.biochem.queensu.ca/~rlc/work/pymol/fitting.py That is a script that creates a function. To turn it into a program, you need to set up what you read in and what you output. In pytho

Re: [PyMOL] How to find RMSD values using fitting.py using Shell script

2015-07-11 Thread Gazal
Thank you for your help, Osvaldo and David. I tried using the command but did not get the RMS as expected.. Following are the results: 1. pymol -cqr fitting.py 1A6M.pdb 4OE9.txt PyMOL>run fitting.py,main HEADEROXYGEN TRANSPORT26-FEB-98 1A6M TITLE OXY-MYOGLOBIN, A