Dear structural(-ly interested) biologist ! HIC-Up, the Hetero-compound Information Centre - Uppsala, has been updated and now contains information on 7,452...
Embarrasing if this is trivial but using CNS_1.2 after I run get_ncs I should be able to superimpose the A molecule on the B molecule using the A to B matrix...
Dear CNS developers, while compiling CNS 1.2 on ,y linux box using the g77install option, I get the following error: gcc -o to_cns -O to_cns.c -lm lex...
Hi all, I have been trying to do anneal with same ligand with two different conformation. I have used xplo2d to generate the topology and parameter file ...
Hi, everyone: I am trying to refine my data set which is p3121 with partial twinning. In CNS 1.2 I can not find some inp files (composite_map) which is in twin...
1594
Sanishvili, Ruslan
rsanishvili@...
Jun 14, 2007 10:14 pm
Dear Colleagues, We are pleased to announce a new mini-beam capability at the two GM/CA-CAT undulator beamlines in Sector 23 of the APS. We have implemented an...
1595
Sanishvili, Ruslan
rsanishvili@...
Jun 15, 2007 4:12 pm
Dear Colleagues, Correct flux in our mini-beam announcement (see below) should have been 1-2x1011. Originally quoted flux is that of a full beam. We apologize...
Hi, all: I am trying to refine a structure solved by MR with phaser. The pdb we got had 81% residues in most favoured regions. However, after one round of...
I think someone has asked this topic already but there seems no answers for it. Anyway, could anyone please provide an example of anneal.inp file for joint NMR...
Hi, Do you really mean joint X-ray/NMR refinement (as described in our Science 1992 paper) or do you just mean inclusion of distant-restraints "a-la NMR" in an...
Hello All, I need to know which top/par files to use in CNS to refine RNA structures with modified bases e.g. 1MG, PSU etc. If I download the corresponding...
1600
Paul Adams
PDAdams@...
Jul 10, 2007 5:29 pm
======================================================================== == Synchrotron Beam Time available for Macromolecular Crystallography at Berkeley...
Hello all, I am a relatively newcomer to X-ray crystallography so any help would be greatly appreciated. I have a heme-containing protein which contains an...
The new PDB format is going to result in a lot of effort by the user community, but they continue to show a lack of concern for our interests. Many of the...
All - I was wondering if anybody else has experienced the following (working with Aria1.2): I have a his-tagged protein (residues 1-132) and wish to calculate...
Hi!!! Do we use electrosatic charges in protein refinement. As i understand mtf files has charges in it. Is it used in the refinement? Thanks for your inputs ...
1605
Paul D. Adams
PDAdams@...
Aug 2, 2007 4:56 pm
======================================================================= Lawrence Berkeley National Laboratory Computational Postdoctoral Fellow ...
1606
Paul Adams
PDAdams@...
Aug 8, 2007 12:41 am
======================================================================= Lawrence Berkeley National Laboratory Software Developer II ...
I am using CNS v1.2, the pre-compiled cns_solve_1.2_all_intel-mac.tar.gz from the ftp-site. Upon running Rigid-body refinement: CNSsolve> CNSsolve>...
1608
Axel Brunger
brunger@...
Aug 31, 2007 3:14 am
This is correct. The "scalenbulk" module has been removed in version 1.2 of CNS and replaced with other modules. You are apparently using an older version of...
Dear all, I am trying to run density modification in cns but I only get this error message (see below). I am not sure what the problem is. Does anybody else...
1610
Axel Brunger
brunger@...
Sep 5, 2007 12:30 am
Ah, that worked. Thanks ! Iain ... version 1.2 ... cns_solve_1.2_all_intel-mac.tar.gz...
Hi guys, I changed the line 68 in machine_f.f c CHARACTER DSTR*8, TSTR*9 CHARACTER DSTR*8, TSTR*10 since the binary was giving seg fault. My compiler is...
Hi All I am trying to refine a structure having residues in alternate conformations. This is what I do: 1) Make a coordinate file containing only a single...
1613
Paul D. Adams
PDAdams@...
Sep 12, 2007 4:08 pm
======================================================================= Lawrence Berkeley National Laboratory Computational Postdoctoral Fellow ...
1614
Paul Adams
PDAdams@...
Sep 12, 2007 4:09 pm
======================================================================= Lawrence Berkeley National Laboratory Software Developer II ...
Shanghai Medicilon Inc. is a US-Sino joint venture company which is focused on providing integrated services for pharmaceutical companies including chemistry,...
Hi, A few things: 1. I was wondering if CNS has parameters/topology for acetate and isopropanol or if I have to generate them in eg. PRODRG ? I couldn't find...
Hello, The Macromolecular Structure Database (MSD) group (http://www.ebi.ac.uk/msd/) is currently looking for suitable candidates to fill in three job...
1618
mark michaels
mark.michaels@...
Sep 20, 2007 4:11 am
Hi Everyone, If anyone could share a simple CNS distance script for selected residue/atoms I'd be grateful. For example analogous to this old xplor syntax. ......
