Re: [ccp4bb] Zalman ZM-M215W and ZM-M240W with coot and pymol

2010-07-16 Thread Tim Gruene
I think the origin of this thread is that the original Zalman Monitors are no longer sold and Zalman only announces these new ones now. We are waiting for their availability (in Germany) and we have no doubt that they are going to work like the previous models did - the technology (which is about

[ccp4bb] Is there anyone want to participate in a Project Evaluation in a great scenic area in China,free of transformation fee , in middle August

2010-07-16 Thread H.H
Is there anyone want to participate in a Project Evaluation, free of transformation fee but no payment. Held in Middle August in Le-Shan, China. You can see the LeShan Grand Buddha and E-Mei Mountain by the way, which is one of the best scenic areas in China. The topic of evaluation is

[ccp4bb] anyone want to participate in a Project Evaluation in a great scenic area in China,free of transformation fee , in middle August

2010-07-16 Thread H.H
Is there anyone want to participate in a Project Evaluation, free of transformation fee but no payment. Held in Middle August in Le-Shan, China. You can see the LeShan Grand Buddha and E-Mei Mountain by the way, which is one of the best scenic areas in China. The topic of evaluation

Re: [ccp4bb] anisotropic/isotropic

2010-07-16 Thread Boaz Shaanan
While what Ed is suggesting has worked for me too and, and as far as know, is probably the only way to get mixed iso/aniso B-refinement to do what one intends to do, perhaps Garib et al. can introduce a more elegant way of specifying in the GUI which residues range should be refined with

[ccp4bb] Murnau Conference 2010 on Structural Biology of the Modern RNA World (13-16 October, 2010)

2010-07-16 Thread Christine Bentz
Dear colleagues, this is to remind you that the Murnau Conference 2010 on Structural Biology of the Modern RNA World will be taking place from 13 to 16 October, 2010. As you might already know, the Murnau Conference is an international meeting that covers medically relevant and timely topics

Re: [ccp4bb] Zalman ZM-M215W and ZM-M240W with coot and pymol

2010-07-16 Thread David Schuller
In the realm of nVidia 3D vision technology, as opposed to Zalman: ASUS showed a 27 monitor at CeBIT, the PG276H, which is not yet available (Some articles say June 2010, some say Q4 2010). The pixel resolution, 1929x1080, will be the same as the current crop of 23 monitors (e.g. Acer

[ccp4bb] problem with CNS bgroup refinement

2010-07-16 Thread hongjunyu
Hi, I am using CNS to refine the structure.But when I come to bgroup refinement, the produced bgroup.pdb have many residues with very high B factor. I read the bgroup.inp, and found the item‘B-factor groups'with following description: {* select atoms in group 1 - protein mainchain example *}

Re: [ccp4bb] problem with CNS bgroup refinement

2010-07-16 Thread Ed Pozharski
The problem is the unrestrained nature of the grouped b-factor refinement itself. Read this thread http://www.mail-archive.com/ccp4bb@jiscmail.ac.uk/msg14133.html In a nutshell, just stick with (properly wighted) individual B-factors. On Fri, 2010-07-16 at 10:57 -0400, hongjunyu wrote: Hi, I

Re: [ccp4bb] Perfect crystal with weird diffraction pattern

2010-07-16 Thread Vellieux Frederic
Hi Hui, I think most of us can't do much with rar archive files. This is a Windows thing I believe and my Linux system tells me Archive type not supported... Fred. hui yang wrote: Hi all, I just collected a data set from a long-spindle-shaped crystal. The data has been scaled to P1

Re: [ccp4bb] Perfect crystal with weird diffraction pattern

2010-07-16 Thread Ian Tickle
Hi Fred You probably need to install package 'unrar-free', e.g. see: http://packages.ubuntu.com/hardy/i386/unrar-free/download . Cheers -- Ian On Fri, Jul 16, 2010 at 3:37 PM, Vellieux Frederic frederic.velli...@ibs.fr wrote: Hi Hui, I think most of us can't do much with rar archive

Re: [ccp4bb] Perfect crystal with weird diffraction pattern

2010-07-16 Thread Tim Gruene
rar and unrar are available for linux. Something similar to aptitude install unrar or zypper -i unrar, depending on the distribution, might even be faster than repacking the archive. Tim On Fri, Jul 16, 2010 at 04:37:04PM +0200, Vellieux Frederic wrote: Hi Hui, I think most of us can't do much

[ccp4bb] Postdoc position available at University of Washington Seattle

2010-07-16 Thread Peter Hsu
The Varani group at the University of Washington is looking for a postdoc to work in the area of RNA structural biology, primarily on RNA:protein and protein:protein complexes involved in RNA processing. Candidate must have a PhD in biochemistry or related fields, and a background in

Re: [ccp4bb] Perfect crystal with weird diffraction pattern

2010-07-16 Thread Tim Gruene
Dear Hui, I am not sure what you mean by the diffraction patterns looking all the same. They don't look the same to me, although they surely don't display any lunes. The diffraction goes quite a bit beyond 3.5A, but I don't know HKL2000 well enough to explain why it refuses to integration

Re: [ccp4bb] Perfect crystal with weird diffraction pattern

2010-07-16 Thread Phil Evans
Pointless thinks it's P42 21 2 with a reasonably high confidence (though that doesn't exclude twinning) Phil data.log Description: Binary data On 16 Jul 2010, at 17:30, Tim Gruene wrote: Dear Hui, I am not sure what you mean by the diffraction patterns looking all the same. They don't

[ccp4bb] Update - PDBprints - salient, at-a-glance info about PDB entries

2010-07-16 Thread Gerard DVD Kleywegt
Dear CCP4BB-ers, I should have realised that if you ask CCP4BB for feedback, feedback is what you will get. In spades :-) Some feedback to your (public and private) feedback: - colour-blindness - we have switched from dark EMBL green to light EMBL green to accomodate all kinds of

Re: [ccp4bb] Perfect crystal with weird diffraction pattern

2010-07-16 Thread Lijun Liu
Dear Hui, About the so-called weird pattern, it is not a surprise at all! You mentioned you had a long-spindle shaped crystal with large cell dimensions (208 A) and a very possible P4x2x2 SG (proved by Phil). It is very likely the longest dimension of the crystal (parallel to cell edge

Re: [ccp4bb] Perfect crystal with weird diffraction pattern

2010-07-16 Thread Lijun Liu
Sorry, I think my reply was not case in the attached images! I happened to have the problem to see the image but I could now see all of them. I think Tim was correct, the patterns are not the same at all. Lijun On Jul 16, 2010, at 12:23 PM, Lijun Liu wrote: Dear Hui, About the

[ccp4bb] No peak after self rotation function means...

2010-07-16 Thread Marie Lacroix
Hi everybody, I just calculated a self rotation function from the data used for molecular replacement (what by the way did not worked) and saw no peak at all. Does this not mean that there is only one molecule in the AU and no additional crystallographic axis? Matthews suggested 3-7 molecules.

[ccp4bb] Program SC

2010-07-16 Thread Sheriff, Steven
All: We are running CCP4 v6.1.3. I have recently tried to use the Program SC, which calculates Surface Complementarity of an interface between two components. I can get it to run fine, but I have one complex, where one of the partners has carbohydrate residues, which have atoms that are not

Re: [ccp4bb] No peak after self rotation function means...

2010-07-16 Thread Ed Pozharski
Pure translation NCS? On Fri, 2010-07-16 at 20:04 +, Marie Lacroix wrote: Hi everybody, I just calculated a self rotation function from the data used for molecular replacement (what by the way did not worked) and saw no peak at all. Does this not mean that there is only one molecule in

Re: [ccp4bb] Program SC

2010-07-16 Thread Ian Tickle
Hi Steven SCRADII is defined in $CINCL/defaults.def which if I recall correctly implies that by default it will look in $CLIBD for the file, unless you specify a directory explicitly. So you could try: % sc XYZIN foo.pdb SCRADII ./my_radii.lib Hope it works! Cheers -- Ian On Fri, Jul 16,

Re: [ccp4bb] Program SC

2010-07-16 Thread Sheriff, Steven
Ian: Thank you for responding at 22:00 on a Friday evening. Your suggestion of using ./my_radii.lib led to the program recognizing the file. CCP4 should considering modifying the sc.doc document to make the fact that the directory needs to be specified explicit. Steven From: Ian Tickle

[ccp4bb] How will I know if covalent has been formed between ligand and protein?

2010-07-16 Thread Subhangi Ghosh
Hi All, I used JLigand to form a covalent bond between ligand, Benzoate and residue Ser and followed the tutorial in the JLigand website and refined it. How shall I know that a covalent bond is existing now? It does not show in coot as a bond. Also although i had inserted the line with Link

[ccp4bb] how to fix a single helice

2010-07-16 Thread xinghua qin
Hi CCP4ers: Recently I am trying to fix a helice, but found that it is so hard for me because of the poor resolution(3.2A) and also a unvisible loop near it, so is there any way to just fix a helice ? can I get it out of the whole structure to refine it? Best regards -- Xinghua Qin College

Re: [ccp4bb] problem with CNS bgroup refinement

2010-07-16 Thread hongjunyu
Dear Fred. and Martyn: Thank you for your replies. I am new to CNS and I just followed the CNS website protocols. I got your ideas. Since my resolution is 2A, I should skip the bgroup refinement. Hongjun Yu

[ccp4bb] how to tie water mols in refmac

2010-07-16 Thread Tzu-Ping Ko
Dear CCP4BB users: I have recently switched to use REFMAC5 instead of CNS in the final refinement of a structure. The TLS method gave much better R/Rfree values than did CNS (17/22 vs 25/28 at 2A). In CNS there is a harmonic term to tether some specified atoms to their original positions. I use