Hello Pymol Users
I am quite new to python and more specifically to PYTHON ,PYMOL interface
hence I urgently need a help from you.
I simple need to calculate the RMSD between two pdb files and use that rmsd
for further programming but somehow I can not figure how to do it
This is what I have written till now
*[codes are in bold]*
*
*
*from pymol import cmd*
*
*
*cmd.load("pdb%04d.pdb"%ener1)*
*cmd.load("pdb%04d.pdb"%ener2)*
This I believe should just load in the PDBs through PYMOL [both these pdbs
are in the same directory]
*rms=cmd.fit(pdb* ???? ) so I do not know how to get the RMSD using this
function ( I need for CA atoms only)
This is the only part where I am getting jammed . I only need the RMSD
values between the structures(without any changes to the structures)
Can you advise me further on this one ?
Any help would be appreciated.
Best
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