Re: [ccp4bb] Pocket identification and substrate tunnelling

2017-01-20 Thread Kabasakal, Burak V
Dear Mohamed, There is a software called CAVER to calculate tunnels in the protein for a given pdb file. ( http://caver.cz/) It has also a PyMol plugin which you can find from its web site. Burak Sent from my iPhone On 20 Jan 2017, at 18:45, Mohamed Noor mailto:mohamed.n...@staffmail.ul.ie>>

[ccp4bb] Pocket identification and substrate tunnelling

2017-01-20 Thread Mohamed Noor
Dear all I think this was discussed before on this board but I can't find the relevant thread(s), so apologies. I have a crystal structure on an enzyme with the NAD+ cofactor bound but no substrate, despite trying both co-crystallization and soaking methods and collecting datasets from 20-30 c