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

Thanks, I tried using python like you suggested but received these errors: Symmetry-Error: Urecognized space group symbol 'P 21 21 2 A'. Symmetry-Error: Unable to get matrices. I used the method given by Osvaldo. And to test if it works I removed the lines from pdb files where it mentioned the sp

Re: [PyMOL] visualize autodock vina results

Dear Leila, What OS are jou using ? If it is windows you may try the for windows modified PyMol plugin de Daniel Seeliger from our web site (http://eipl.cnrs-mrs.fr/bioinformatic.php), which allows to create a poses.pdb file usable in PyMol and its measurements wizard. best regards Goetz L

Re: [PyMOL] visualize autodock vina results

Dear Leila, What you want is the create command, you should write something like: create new_object, (pose1, protein) Cheers, Osvaldo. On Mon, Jul 13, 2015 at 3:58 AM, leila karami wrote: Dear PyMOL users, > > I am visualizing autodock vina resul

[PyMOL] visualize autodock vina results

Dear PyMOL users, I am visualizing autodock vina results using PyMOL: I open out.pdbqt (containing 9 docked conformations of ligand) I open pr.pdb (containing protein structure) I want to have 1 pdb file containing one of conformations of ligand (for example number 1 which is the best pose) + pr