[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

[ccp4bb] a question related to WinCoot 0.8.1

2015-01-09 Thread Dialing Pretty
Dear All,  When I use WinCoot 0.8.1 to open a PDB file, it comes, Fix Nomenclature Errors. Correct them? Asp [spec: 1 A 128 ]PHE[spec: 1 A 134]PHE [spec: 1 A 371] But when I check the 3 residues, I cannot find any error. Will you let me know the issue? Dialing

[ccp4bb] CCP4 Scalepack2mtz problem: Anisotropy correction failed

2015-01-09 Thread Xiao Lei
Dear All, I tried to convert my x-ray diffraction sca data from HKL200 (.sca file) to mtz in CCP4 using Scalepack2mtz and it failed, I do not know what should I supposed to do next to correct the problem, any suggestions are appreciated. I pasted the message from part of log file below:

Re: [ccp4bb] active 3D monitors: successor of Asus VG278HR?

2015-01-09 Thread Tobias Beck
Dear Jens, Jim, Todd and all, Thanks for your replies and suggestions! Yes, you are right, if you do not get your hands on a monitor with built-in emitter, you'll need ad least a K4000 That is the reason I was looking for the monitor with built-in emitter, because then I could use the much

Re: [ccp4bb] active 3D monitors: successor of Asus VG278HR?

2015-01-09 Thread Padmanabhan B
Dear Tobias, BenQ (Model: XL2411Z - 24W 3D monitor) ViewSonic (VX2268wm - 22 3D monitor) NVIDIA 3D Vision 2 Kit 1. Both the abovementioned monitors work well on Linux/Ubuntu with the NVIDIA Quadro K4000 graphics card. You may have to edit the Xorg file for proper 3D access in BenQ or ViewSonic

Re: [ccp4bb] Protein precipitating at higher concentration!!

2015-01-09 Thread FOOS Nicolas
Hi Ivan, according to my experience, if you remove at the same time GuHCl and Triton, you have huge risk of precipitation if the protein is not properly folded. In my opinion, you have to do something like re-folding. It seems that your protein could be solubilized from inclusion-body. In the

Re: [ccp4bb] Off-topic - PyMol map sampling at unit cell boundary

2015-01-09 Thread Paul Emsley
On 09/01/15 21:08, Shane Caldwell wrote: Hi ccp4bb, Apologies for a cross-post. I previously asked this question on the pymol-users mailing list, but I thought I'd ask here as well, in case someone who doesn't follow that bb might have run into my problem rendering maps in PyMol. I'm

Re: [ccp4bb] Bulk solvent

2015-01-09 Thread Pavel Afonine
Dear Armando, Is there any reason for using Babinet scaling for bulk solvent correction instead of mask based scaling? in addition to Dirk's excellent comment: Babinet bulk-solvent model is fine at resolutions lower than 15-20Å while not so much at higher resolutions as demonstrated by

[ccp4bb] Off-topic - PyMol map sampling at unit cell boundary

2015-01-09 Thread Shane Caldwell
Hi ccp4bb, Apologies for a cross-post. I previously asked this question on the pymol-users mailing list, but I thought I'd ask here as well, in case someone who doesn't follow that bb might have run into my problem rendering maps in PyMol. I'm starting to think it's a non-trival problem to solve.

Re: [ccp4bb] Bulk solvent

2015-01-09 Thread Dirk Kostrewa
On 09.01.2015 08:56, Armando Albert wrote: Dear all, Is there any reason for using Babinet scaling for bulk solvent correction instead of mask based scaling? Armando Dear Armando, yes: the mask bulk solvent correction depends on the proper calculation of a protein mask. The bulk solvent

Re: [ccp4bb] imosflm error

2015-01-09 Thread Boaz Shaanan
Hi, I suggest you upgrade to ccp4-6.5 in the first place. I used to have this problem (or a similar one) with the initial 6.4 release but it has been fixed with later updates. In 6.5 it's completely gone (I'm using Centos 6.6) Cheers, Boaz Boaz Shaanan, Ph.D. Dept. of

[ccp4bb] imosflm error

2015-01-09 Thread Pooja Kesari
Dear All, Whenever I start imosflm there was an error message *iMosflm version 7.1.1, 24th March 2014ipmosflm is not compatible.Please configure iMosflm with the correct executable.on configure* the imosflm window is closed and there *Tcl platform is unix

Re: [ccp4bb] active 3D monitors: successor of Asus VG278HR?

2015-01-09 Thread David Schuller
On 01/09/2015 12:11 AM, Jens Kaiser wrote: In addition to what others have -- correctly -- stated I want to add one more thing: Yes, you are right, if you do not get your hands on a monitor with built-in emitter, you'll need ad least a K4000 and in many cases the VESA din bracket (~$50). You do