[ccp4bb] Generate high resolution pirctures in pymol

2008-09-16 Thread yang li
Hi all, Can somebody please help me to generate high resolution movie files for secondary structure of proteins? After I ray a model with high resolution in pymol and then save it as movie frames, the high resolution and ray seem lost. I have tried the command likes ray 2000,2000 and it does wo

[ccp4bb] What does pymol recognize as a (nucleobase) ring?

2008-09-16 Thread jcuesta
Dear all, I am trying to make figures of a peptide nucleic acid, that is, a molecule with protein-like backbone but nucleic acid-like side chain, meaning nucleobases. I cannot get Pymol to recognize the nucleobase rings as rings fo the cartoon_ring_mode, likely due to a rather unusual nomenclat

[ccp4bb] Resolution limit for Molecular Replacement

2008-09-16 Thread Rajan Pillai
Hi All, I read some literature for phasing by molecular replacement performed with reflections upto 3.5 Angstroms. Can anybody tell me why? I would prefer deleting low resolutions so as to reduce contribution from the solvent that might affect RF search and obtaining a solution. Your responses to

[ccp4bb] Rotation Function of MOLREP

2008-09-16 Thread Rajan Pillai
Hi All, I want to plot the rotation function that MOLREP uses. I cannot find any output of rotation function in the logfile or in moIrep.doc. I want to locate the peaks of the rotation function, that are shortlisted as solutions, which would help me in understanding the following problem. My prot

[ccp4bb] Progresss with Stereo 3D under Mac OS X Leopard

2008-09-16 Thread Warren DeLano
CCP4bb, Some graphics news: Full operating-system support for stereo 3D has at last been restored on Mac OS X Leopard, but NOT in Leopard's X11 just yet (the Xquartz open-source community will hopefully soon remedy this...). While today's fix is great for native Mac OpenGL applications like MacP

[ccp4bb] protein DNA complex screen Re: [ccp4bb] Query on program for creating random crystallization screen

2008-09-16 Thread Allyn Schoeffler
Dear Rajakumara & all others interested in protein-DNA complex crystallization: I have an in-house sparse matrix screen (created with CRYSTOOL when it was still freeware) that is designed for protein-DNA complexes. It has been used in our lab successfully, with one case (so far) leading to public

Re: [ccp4bb] difference in data processed with xscale and scala

2008-09-16 Thread Mark J. van Raaij
or could it be in part a statistical effect, if the scala-map is flatter, the differences near the ligand stand out more (i.e. are at higher level relative to sigma), while they are really the same height in absolute (electron-density) terms? Mark van Raaij http://web.usc.es/~vanraaij/

Re: [ccp4bb] difference in data processed with xscale and scala

2008-09-16 Thread Kay Diederichs
Hi Sabine, difficult to say anything without knowing more about your procedures and data. I would not exactly consider the difference between 20.9/24.8 and 21.6/26.1 as tiny. One question - which procedure did you use to go from XDS_ASCII.HKL to the mtz-file for SCALA? There are two different

[ccp4bb] Biochem off-topic--gently breaking protein-protein interaction

2008-09-16 Thread Jacob Keller
Hello All, Does anyone know of an agent that will break up a protein-protein interaction without eluting an MBP-tagged protein from amylose resin? I am trying to do a protein-protein binding assay with an immobilized MBP-tagged protein. Granted, the putative binder will be easy to distinguish

Re: [ccp4bb] difference in data processed with xscale and scala

2008-09-16 Thread Eleanor Dodson
It is likely to be a difference in the scaling. Can you merge the two data sets, run scaleit or something to analyse the difference v resolution? Eleanor Sabine Schneider wrote: Hello everyone, I am puzzled about differences I see when I refine the very same structure against data processed

[ccp4bb] difference in data processed with xscale and scala

2008-09-16 Thread Sabine Schneider
Hello everyone, I am puzzled about differences I see when I refine the very same structure against data processed with xscale or scala. I got data to 2.55A from a protein-ligand complex. The data were processed with xds/xscale (1) or xds/scala (2) Free R was imported from a previously solved

Re: [ccp4bb] truncate ignorance

2008-09-16 Thread Ian Tickle
Hi Marc You shouldn't feel obliged to defend the Sivia & David paper on my account: I'm in no way criticising it. S&D proposed their method in the context of PD data processing and no doubt it's adequate for that purpose: I'm no expert in PD, so far be it for me to criticise their methods. Ho