Re: [ccp4bb] binding pockets...

2023-01-13 Thread Harry Powell
Hi This was brought to my attention after I posted yesterday, to add to the list I sent then - pyvol - Python (as a PyMol plug-in, a python module and as a command-line Python script) - needs a config file to run - https://schlessinger-lab.github.io/pyvol/index.html The output is

Re: [ccp4bb] binding pockets...

2023-01-09 Thread Harry Powell
Hi Mike Interesting. I haven’t looked at Java stuff for quite some time… Harry > On 4 Jan 2023, at 12:53, Mike S wrote: > > Have you tried P2Rank? It is quite fast, and there is a standalone version > that has command line options to run against all coordinate files in a > directory using

Re: [ccp4bb] binding pockets...

2023-01-04 Thread Mike S
Have you tried P2Rank? It is quite fast, and there is a standalone version that has command line options to run against all coordinate files in a directory using batch mode. https://prankweb.cz/ https://prankweb.cz/about https://github.com/rdk/p2rank You can try the web version to see how it

Re: [ccp4bb] binding pockets...

2023-01-04 Thread Harry Powell
THX for the replies - > On 3 Jan 2023, at 22:56, Bernhard Rupp wrote: > > There is also a service from our Polish friends: > called Spaceball (jokes aside) that calculates the volume of protein cavities > (http://www.ifpan.edu.pl/~chwastyk/spaceball/). > and the services in Hamburg are useful

Re: [ccp4bb] binding pockets...

2023-01-03 Thread Bernhard Rupp
There is also a service from our Polish friends: called Spaceball (jokes aside) that calculates the volume of protein cavities (http://www.ifpan.edu.pl/~chwastyk/spaceball/). and the services in Hamburg are useful for visualization of binding pockets and channels https://proteins.plus/ Best, BR

Re: [ccp4bb] binding pockets...

2023-01-03 Thread Andre Godoy
Hi Harry if you mean predicting binding sites, FT map is quite good Andre S. Godoy, PhD  Universidade de São Paulo Instituto de Física de São Carlos Av. João Dagnone, 1100, Jd. Santa Angelina13563-120 - São Carlos, SP, Brazil  Em terça-feira, 3 de janeiro de 2023 12:15:19 BRT, Harry

Re: [ccp4bb] binding pockets...

2023-01-03 Thread James Holton
PanDDA ? On 1/3/2023 7:14 AM, Harry Powell wrote: Hi folks I was wondering what people’s favourite program is to find binding pockets in proteins. I’ve had a look at a couple but each has its own idiosyncrasies. HNY Harry

[ccp4bb] binding pockets...

2023-01-03 Thread Harry Powell
Hi folks I was wondering what people’s favourite program is to find binding pockets in proteins. I’ve had a look at a couple but each has its own idiosyncrasies. HNY Harry To unsubscribe from the CCP4BB list, click the