Re: [PyMOL] Iterating through all objects and calculate RMS

Looks like you’re missing a space in the string ‘and resn UNK’, it should be: i + ‘ and resn UNK’ Regards, Gabriel Marques > On Oct 18, 2016, at 1:57 PM, Subha K wrote: > > Hi There, > > I am trying to calculate the rmsd of all ligands loaded in the pymol with > refere

Re: [PyMOL] problem saving the transformed coordinate after alignment

the first object onto the second. align mobile, target mobile will have it’s coordinates changed, target will be unchanged. Regards, Gabriel Marques PyMOL > On Oct 19, 2016, at 1:47 PM, Subha K wrote: > > Hi there, > > I am trying to save the transformed coordinates of

Re: [PyMOL] Using 'python' and 'python end' in pymol scripts

Rename the script from .py to .pml Regards, Gabriel Marques PyMOL > On Oct 19, 2016, at 4:39 PM, #YEO JINGJIE# wrote: > > Dear Users, > > I am trying to implement a script which uses a mix of pymol and python > scripting. I enclosed the main portion within the '

Re: [PyMOL] loading a file whose name is stored in a variable

, Gabriel Marques > On Oct 20, 2016, at 1:06 PM, Subha K wrote: > > Hi there, > > If the base name of my file is stored in a variable, how can I load the file > using the variable? > > Eg., My filename is "File10.pdb" > and I have, X = File10 > > I t