Re: [ccp4bb] Multiple ligand simultaneous docking

2024-05-07 Thread Gary Thompson
Haddock certainly has support for this HADDOCK Web Server science.uu.nl [favicon.ico] But I have not run it myself… regards

Re: [ccp4bb] Downloading individual chains from the PDB

2023-09-07 Thread Gary Thompson
I stand corrected and have learnt a new trick, thanks Jose! Note jose’s reply has a typo it is https://models.rcsb.org not https://modes.rcsb.org loading the page https://models.rcsb.org on its own gives a nice

Re: [ccp4bb] Downloading individual chains from the PDB

2023-09-07 Thread Gary Thompson
The PDB will only provide you with complete deposited files. You can’t download individual chains. The only way to do it is as you are doing, grab the deposited file and then parse it to get the chains…. Regards Gary Dr Gary S

Re: [ccp4bb] choosing an NMR structure from PDB

2023-05-03 Thread Gary Thompson
Hi Harry First off I would look at quality metrics. For the structures from the same paper you will need to check what the differences are in the paper and choose what’s closest to what you have need (experimental conditions etc) assuming they all have similar quality As a secondary priority

Re: [ccp4bb] Is this Spam? This looks like Spam.

2023-01-12 Thread Gary Thompson
So this was quite real and not spam, here is an update from jisc ---start

[ccp4bb] Lectureship Positions University of Kent

2019-08-07 Thread Gary Thompson
We have two Jobs advertised at the University of Kent that may be of interest to structural biologists with expertise in macro molecular crystallography. https://jobs.kent.ac.uk/Vacancy.aspx?ref=STM-032-19 The School of Biosciences has a long and continuing interest in structural biology with