Re: [PyMOL] Iterate over residue index

2021-01-27 Thread Thomas Holder
Hi Ioannis, You could make a mapping of rank to residue selection and then sort that by rank. Something like this: from pymol import cmd, stored stored.mydict = {} cmd.iterate("guide", "stored.mydict[rank] = f'///{chain}/{resi}'") for rank, sele in sorted(stored.mydict.items()): cmd.iterate(

Re: [PyMOL] Mac Installation Question

2021-01-27 Thread Thomas Holder
Hi Justine, Have you tried with the official schrodinger::pymol package? If the user who wants to use your plugin has a PyMOL license, that should be the best option for him. conda create -n pymol -c conda-forge python=3.7 rdkit=2020.03.3.0 matplotlib seaborn pip numpy schrodinger::pymol schro