Re: [ccp4bb] 96-well block storage

2011-06-15 Thread Schubert, Carsten [PRDUS]
Brian, We use a PlateLoc Thermal Microplate sealer from Agilent. Works very well, pricey though ... Cheers, Carsten > -Original Message- > From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of > Brian Mark > Sent: Tuesday, June 14, 2011 5:19 PM > To: CCP4BB@JISCM

Re: [ccp4bb] Stereo solution with Nvidia '3D vision' or '3D vision pro'

2011-05-10 Thread Schubert, Carsten [PRDUS]
Eric, Takaaki: I just remembered that we ran into the same problem. If you are using Linux try launching 'nvidia-settings' and disable GPU scaling. That helped with some of our monitors, which exhibited the same problem. Not sure if that would be applicable to Windows though. HTH Carsten

Re: [ccp4bb] Graphics card for Nvidia 3D vision

2011-03-01 Thread Schubert, Carsten [PRDUS]
Andreas, I can only second what Chris was saying. We have the same setup (FX3800 with separate riser for stereo connection) used in all of our machines and it works very well. In terms of monitor I would recommend to spend a bit more money and go with an Alienware or Asus 3D LCD, both are running

Re: [ccp4bb] Graphics for notebook

2010-09-20 Thread Schubert, Carsten [PRDUS]
Eric, if you want to use stereo on a notebook you have very limited options. I have stereo running using a Lenovo T61p with a Nvidia Quadro FX570M under XP, not tried Linux yet. Officially this card is not even supported by Nvidia for 3D application, but works anyway in conjunction with a dock

Re: [ccp4bb] Problem with getting protein-inhibitor complex structure

2010-08-28 Thread Schubert, Carsten [PRDUS]
Hi Xiaopeng, In addition to what has been suggested: Make sure to understand that your 'inhibitors' are really inhibitors and not just general destabilizers of proteins. A binding assay like ITC or Thermofluor like assay is useful to establish that your inhibitors are actually binding to the prot

Re: [ccp4bb] pymol python and cctbx

2010-06-23 Thread Schubert, Carsten [PRDUS]
Tim, I'm shooting from the hip here, but I think the problem is that cctbx comes with its own python, which you would need to run both pymol and numpy under. According to Ralf it is at least not trivial to utilize the system python to run cctbx. So I think you need to compile/install pymol against

Re: [ccp4bb] Does the substrate has access to the active site?

2010-04-09 Thread Schubert, Carsten [PRDUS]
Paul, couple things come to mind: -make sure your substrate is actually a binder and not an (unspecific) inhibitor (ITC, Thermofluor, Biacore) -soak longer and at higher concentration. (3mM concentration from 100mM stock in DMSO for a week or more) -Is there evidence that your protein needs to

Re: [ccp4bb] DSSP server

2010-01-14 Thread Schubert, Carsten [PRDUS]
Jane, you could use ksDSSP, which is an OpenSource implementation of DSSP. Requires some compiling though and I am not sure if OSX is supported. You also need to compile the PDB record I/O libraries. http://www.cgl.ucsf.edu/Overview/software.html Cheers, Carsten > -Original Mess

Re: [ccp4bb] desktop models

2009-05-05 Thread Schubert, Carsten [PRDUS]
Chris, For the laser-etched glass blocks have a look at: http://www.bathsheba.com/ I have a couple of them and they look very good. Cheers, Carsten > -Original Message- > From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of > Christopher Rife > Sent: Tuesday,

Re: [ccp4bb] cryoloops for X-ray data collection from protein crystals at room temperature

2009-01-16 Thread Schubert, Carsten [PRDUS]
http://www.mitegen.com/ Cheers Carsten -Original Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk]on Behalf Of cedric bauvois Sent: Friday, January 16, 2009 9:27 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] cryoloops for X-ray data collection from protein crys

Re: [ccp4bb] foam dewar usage ?

2008-10-10 Thread Schubert, Carsten [PRDUS]
e "classical" ones. Bert -Original Message- From: CCP4 bulletin board on behalf of Schubert, Carsten [PRDUS] Sent: Thu 10/9/2008 9:15 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] foam dewar usage ? Hmmm, that's funny. Our experience was quite the opposite. The first time we used

Re: [ccp4bb] foam dewar usage ?

2008-10-09 Thread Schubert, Carsten [PRDUS]
Hmmm, that's funny. Our experience was quite the opposite. The first time we used one of the darker small dewars we ended up with a lot of burr in the LN2. Those got picked up by the cryo and we ended up with lilac particles embedded inside the cryo. You can imagine the reaction when these parti

Re: [ccp4bb] CONECT records

2008-10-02 Thread Schubert, Carsten [PRDUS]
Christina, phenix.elbow will generate the CONECT records for you. HTH Carsten -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] Behalf Of Christina Bourne Sent: Thursday, October 02, 2008 12:33 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] CONECT records

Re: [ccp4bb] coot question for any/all?

2008-03-05 Thread Schubert, Carsten [PRDUS]
David, check if your personal environment (login scripts, paths, etc...) is the same on your home machine and the other machines. Looks as if there might be a difference. What does the coot console say, any error messages or hints? HTH Carsten > -Original Message- > From: CCP

Re: [ccp4bb] insoluble ligand

2007-12-11 Thread Schubert, Carsten [PRDUS]
Simon, solubilize your ligand in DMSO so it is maximally concentrated, 100mM works fine. Add enough compound to achieve 2-3 fold excess to your protein, mix and set up. Make sure your final DMSO concentration is ~3%, otherwise chances are you might harm your protein. If you cannot achieve a hig

Re: [ccp4bb] coot in stereo

2007-08-14 Thread Schubert, Carsten [PRDUS]
Paul: that is a problem with the NVIDIA hardware. In some old release notes 2 years ago they spoke of some instabilities of the GPU with regards to stereo. This happens more under linux than under windows, which points to a driver issue. To my knowledge there is not much you can do. May be so

Re: [ccp4bb] How to determine ligand binding from diffraction pat tern?

2007-05-29 Thread Schubert, Carsten [PRDUS]
Aha Dr. Palm Tough to generalize this, but if the ligand is weak or the site only partially occupied you need to refine almost to completion. Since you seem to be doing something akin to fragment screening I can only pass on my experience. I had plenty of cases where the Rfree was ~35 after a