Re: [PyMOL] AutoDock plugin error

2018-06-14 Thread Enrique Ordaz
Hi, I thank you all for your answers and all the help provided. I will try to solve the problem with all the info I got and let you know the results. Best regards, Enrique 2018-06-13 10:20 GMT-05:00 Thomas Holder : > Hi all, > > I made a pull request to Pymol-script-repo where oldnumeric is repl

[PyMOL] Virtual screening with Autodock Vina

2018-06-14 Thread Enrique Ordaz
Hi everyone, I am trying to perform a virtual screening using autodock vina. However, in this particular case I am using different proteins and one single substrate. I don't know if this can be done automatically with a script. I've found some scripts for one protein and several substrates witch se

[PyMOL] SMILES pattern recognition ability of PyMOL

2018-06-14 Thread Vijay Masand
Dear PyMOL Users, I am using Open source PyMOL 2.1 installed on Windows 10 (Python 3.6). I found a very interesting ability of PyMOL which is related to SMILES pattern matching. With the help of following code, I am able to get count of matches for a specified SMILES pattern. For example, I used "C

[PyMOL] PyMOL Open-Source Fellowship - Call for Applications

2018-06-14 Thread Thomas Holder
Greetings, We are excited to announce that the Warren L. DeLano Memorial PyMOL Open-Source Fellowship program is now accepting applications for the 2018--2019 term. The Fellowship is awarded by SchrÓ§dinger to supplement the income of an outstanding member of the PyMOL open-source community to d

[PyMOL] Structure and map comparison like Phenix

2018-06-14 Thread Murpholino Peligro
Dear PyMOL users... Have you tried to compare several structures and maps? I am talking about something like this ( https://www.phenix-online.org/documentation/reference/structure_comparison.html ) Are there any good pymol scripts that can make this easier? Although the table phenix outputs looks