I am aware of symmetry operations for crystallographic refinement using CNS, but is anyone aware of such capabilities with NMR solution structures ? The older...
399
brian.o.smith@...
Apr 4, 2002 10:45 am
I presume you're trying to calculate the structure of a symmetric multimer? There are two symmetry constraints in XPLOR/CNS that you should use together to...
400
Rajhansi Raj
rajhansi79
Apr 4, 2002 11:30 am
Hi all, I would like to know whether some one has the coordinate, topology and parameter files for formaldehyde for the CNS suite. If so, could you please...
401
Grzegorz Raszewski
greg1@...
Apr 4, 2002 11:33 am
Dear all, I have small problem. I've observed some deformation of the electron density map i.e. they're enlareged in one direction. I belive it has something...
402
Daan van Aalten
dava71
Apr 4, 2002 11:38 am
Hi Raj You can get parameters for any small molecule from the PRODRG server http://davapc1.bioch.dundee.ac.uk/programs/prodrg/prodrg.html or you can browse...
403
Coles Murray
muzcoles
Apr 4, 2002 1:47 pm
The two symmetry constraints, as correctly mentioned below, are the non-strict NCS, which maintains the superimposability of all multimers and distance...
404
Tristan Fiedler
tfiedler@...
Apr 4, 2002 8:01 pm
I am dealing with the same issue that was posted to the CCP4BB about a ... No follow-up answers were posted to the CCP4BB, nor does anything useful come from a...
405
Andrea Musacchio
z00831@...
Apr 20, 2002 9:46 pm
European Institute of Oncology, Milan, Italy POSTDOCTORAL POSITIONS Applications are invited for two postdoctoral positions in biochemistry/protein...
406
Bjoern Heitmann
biggen50
Apr 24, 2002 4:25 pm
Dear All, does anybody know how to use more than one kind of coupling in a cns run? So far I m using N HN couplings, but I like to incorperate more. Do I need...
407
Fernando Gil Ortiz
fgil@...
Apr 25, 2002 5:28 pm
Hi, I have a problem. I have two sulfates in my structure and when I refine the protein including the sulfates using the minimize option of CNS the sulfates...
408
Eric Bennett
ericb@...
Apr 25, 2002 5:42 pm
... I have seen this happen before. I refined about ten different complexes with sulfates, and in a few of them the refinement produced the type of planar...
409
TIMM_DAVID@...
Apr 25, 2002 6:00 pm
I always use the ion.param and ion.top files supplied in the TOPPAR directory without problem. These have the SO4 residue defined. Cheers, Dave Timm Eric...
410
Barnali Chaudhuri
neel@...
Apr 25, 2002 7:41 pm
... Hi, You need to define the improper dihedral properly in your toppar files... I think CNS toppar files has entry for sulfate (called SO4) defined in...
411
Anand Bhattacharrya
anandab@...
Apr 25, 2002 8:23 pm
Hey I was wondering if anyone knew how to actually parallelize CNS, I know that there is a PFA thing for th SGIs anything for the Linux systems. Is there a...
412
Tristan Fiedler
tfiedler@...
Apr 25, 2002 10:15 pm
Does anyone have a CNS jiffy (similar to model_stats.inp) to simply calculate R & Rfree? I am using model_stats.inp but am not sure which sections of the input...
413
cao chunyang
caoccyzw@...
Apr 25, 2002 11:12 pm
Dear CNS user: I have installed cns (version 1.1) under redhat linux 7.2 successfully. But when I tried to run it, it always crashed with the errors " ...
414
DeLano, Warren
warren@...
Apr 26, 2002 7:03 pm
As a crystallography platform, Mac OSX offers substantial advantages over Linux for users, developers, and administrators: - full desktop environment (Office,...
415
Bhyravbhatla, Balaji
balaji.bhyravbhatla@...
Apr 29, 2002 12:55 pm
HI, I have had a lot of these questions and honestly I am not sure what the bug in CNS installation is. Maybe Paul (or someone else) can take a looksee at...
416
Tommy Wang
chernhoe@...
May 1, 2002 2:24 pm
Hi all, Does anyone of u know how to modify the following snipplet of input script so as to enter multiple subunits? If u have a sample script it's even...
417
Gerard "DVD"...
gerard@...
May 8, 2002 7:27 pm
... from hic-up (or xplo2d or the hic-up server) you always get a little energy minimisation input file. run just that file through cns. if you get a distorted...
418
steve alam
salamutah
May 13, 2002 11:57 pm
Dear CNS users: I know this subject may have been brought up a few times (as seen by the questions in the archive) but I was unable to find the responses to...
419
Susan Heffron
sheffron@...
May 21, 2002 8:49 pm
Hi all. Does anyone know how to calculate an "estimated error" for occupancy values (of ions) that were refined with CNS or X-PLOR? A reviewer of a paper is...
420
Sunando
mbusun@...
May 27, 2002 5:58 am
Hi sorry!! This is not directly related to CNS. Can anyone tell, why citrate buffer is generally avoided with Mg salt? Sunando --...
421
Robert Sweet
sweet@...
May 28, 2002 12:27 pm
The deadline for applications for the NSLS's fall 2002 cycle is the end of the NSLS working day (5PM EDT) on Friday 31 May 2002. Six beamlines are available...
422
Robert Sweet
sweet@...
May 31, 2002 3:29 am
The deadline for NSLS beamtime applications is today, Friday 31 May, at 5PM EDT. If you want time on X25, you will be most likely to get it through this...
423
David Aragao
virtual_train
Jun 3, 2002 4:32 pm
Hello to all, I have a problem when running cns_solve on a anneal.inp file (defaults) Program version= 1.1 File version= 1.1 SELRPN: 0 atoms have been...
424
virtual_train
Jun 3, 2002 4:32 pm
Hello to all, I have a problem when running cns_solve on a anneal.inp file (defaults) Program version= 1.1 File version= 1.1 SELRPN: 0 atoms have been...
425
Evan Stein
evanmdphd
Jun 3, 2002 5:47 pm
According to the FAQ, MAXJNT indicates the maximum number of atoms that another atom may be bonded to when CNS sets up the topology for Torsion Angle Dynamics....
426
Luke Rice
lrice@...
Jun 3, 2002 5:59 pm
What Evan said. (Hi Evan, by the way). One additional comment - MAXJNT refers to the maximum number of connections one rigid group can have to others. The...
427
ASOKAN ANBANANDAM
anbuasok@...
Jun 4, 2002 4:00 am
I have a difficulty in incorporating calcium ions into my structure calculation. I am using CNS solve version 1.0. When I try to give calcium-oxugen ligan ...
