Re: [PyMOL] Calculate RMSD between ligands from a crystal structure and from a docking

could it be automorphism? -Original Message- From: Baptiste Legrand Sent: Wednesday, July 25, 2018 9:17 AM To:pymol-users@lists.sourceforge.net Subject: [PyMOL] Calculate RMSD between ligands from a crystal structure and from a docking Dear all, I tried to calculate a rmsd value bet

Re: [PyMOL] Calculate RMSD between ligands from a crystal structure and from a docking

ednesday, July 25, 2018 9:17 AM To: pymol-users@lists.sourceforge.net Subject: [PyMOL] Calculate RMSD between ligands from a crystal structure and from a docking Dear all, I tried to calculate a rmsd value between ligands from a crystal structure and after docking. The two molecules share similar nomen

Re: [PyMOL] Calculate RMSD between ligands from a crystal structure and from a docking

rect. >> >> Best, >> >> Baptiste >> >> >> Le 25/07/2018 à 18:57, Markus Heller a écrit : >>> Not knowing what your molecule looks like, could it be automorphism? >>> >>>> -----Original Message----- >>>> Fr

Re: [PyMOL] Calculate RMSD between ligands from a crystal structure and from a docking

us Heller a écrit : >> Not knowing what your molecule looks like, could it be automorphism? >> >>> -Original Message- >>> From: Baptiste Legrand >>> Sent: Wednesday, July 25, 2018 9:17 AM >>> To: pymol-users@lists.sourceforge.net >>>

Re: [PyMOL] Calculate RMSD between ligands from a crystal structure and from a docking

tomorphism? -Original Message- From: Baptiste Legrand Sent: Wednesday, July 25, 2018 9:17 AM To: pymol-users@lists.sourceforge.net Subject: [PyMOL] Calculate RMSD between ligands from a crystal str

Re: [PyMOL] Calculate RMSD between ligands from a crystal structure and from a docking

molecule looks like, could it be automorphism? -Original Message- From: Baptiste Legrand Sent: Wednesday, July 25, 2018 9:17 AM To: pymol-users@lists.sourceforge.net Subject: [PyMOL] Calculate RMSD between ligands from a crystal structure and from a docking Dear all, I tried to calculate a

Re: [PyMOL] Calculate RMSD between ligands from a crystal structure and from a docking

Not knowing what your molecule looks like, could it be automorphism? > -Original Message- > From: Baptiste Legrand > Sent: Wednesday, July 25, 2018 9:17 AM > To: pymol-users@lists.sourceforge.net > Subject: [PyMOL] Calculate RMSD between ligands from a crystal structu

[PyMOL] Calculate RMSD between ligands from a crystal structure and from a docking

Dear all, I tried to calculate a rmsd value between ligands from a crystal structure and after docking. The two molecules share similar nomenclatures and are really well superimposed. I think that the RMSD should be < 1 A. I used the following lines: alter all,segi="" alter all,chain ="" rms