Re: [ccp4bb] Active site Volume

2015-01-09 Thread Chris Fage
Hi Ayan, Try 3V: http://3vee.molmovdb.org It has worked nicely for me. You'll need to delete the substrate/inhibitor from your coordinate file for one of the runs. Cheers, Chris On Saturday, January 10, 2015, Bio Physics wrote: > > Hello CCP4bb: > > Help me to advice any program/server to cal

[ccp4bb] Active site Volume

2015-01-09 Thread Bio Physics
Hello CCP4bb: Help me to advice any program/server to calculate active site volume without substrate/inhibitor and volume of the substrate/inhibitor itself. Q-site-finder website is not working. Thank you, Ayan

Re: [ccp4bb] Active site volume calculator

2013-06-06 Thread Francois Berenger
On 06/06/2013 08:47 AM, Bosch, Juergen wrote: Hi Yuri, http://fpocket.sourceforge.net http://sts-fw.bioengr.uic.edu/castp/calculation.php I think GHECOM also compute this. GHECOM uses morpho maths operators in 3D. Quite beautiful. http://strcomp.protein.osaka-u.ac.jp/ghecom/ Just to name 2

Re: [ccp4bb] Active site volume calculator

2013-06-05 Thread Bosch, Juergen
Hi Yuri, http://fpocket.sourceforge.net http://sts-fw.bioengr.uic.edu/castp/calculation.php Just to name 2 Jürgen On Jun 5, 2013, at 7:12 PM, Yuri Pompeu wrote: > Dear BB, > I am sorry for posting off-topic but it is hard not to ask when you know you > can get a good answer ;-) > > I need to

[ccp4bb] Active site volume calculator

2013-06-05 Thread Yuri Pompeu
Dear BB, I am sorry for posting off-topic but it is hard not to ask when you know you can get a good answer ;-) I need to calculate the volume of several active sites. Nothing fancy, just a number for comparison sake. I understand there are probably 10 different ways/programs and I would apprec