... I've seen bad solutions with the right rotation used to refine a model successfully, even with the wrong spacegroup. It probably depends a lot on the...
475
Carien Dekker
cdekker@...
Aug 30, 2002 11:38 am
Hi, I'm trying to refine multiple conformations in CNS. The pdb contains 4 monomers. One residue has its side chain in two conformations in only 2 of the 4...
476
Elena Guiberman
elena.guiberman@...
Sep 5, 2002 12:18 pm
Hi, If somebody knows how to weigh the NOEs in the CNS. I have a Zinc-Cluster and I would like to weigh the Zn NOEs stronger than the others. I'd really...
477
renhuai huang
huangrenhuai@...
Sep 12, 2002 2:41 pm
Hi, everyone, Now I am calculating my solution structure using CNS1.1. In the anneal.inp file there are several choice for ... {* NOE averaging modes *} {*...
478
barbault@...
Sep 13, 2002 7:22 am
479
Richard Baxter
rbaxter@...
Sep 17, 2002 4:12 pm
Dear All, I am a bit confused about the choice between protein.param and protein_rep.param when selecting parameter files to use in refinement with CNS. The...
480
nmr12@...
Sep 18, 2002 6:29 am
Dear Everyone, I would like to make NMR calculations on a disaccharide with an unusual interglycosidic linkage, a disulfide bond. If I understood it correctly...
481
steve alam
salamutah
Sep 18, 2002 7:16 pm
Dear CNS users: We are trying to refine a zinc-containing protein. We've generated mtf files from folded PDBs while including the ion.param and ion.top files....
482
Joe Krahn
joekrahn
Sep 19, 2002 2:03 am
... If editing the MTF and assign statement fixes it, then it is probably not a parameter file problem. It looks like it's tryinh to make an NOE to atom number...
483
Robert Sweet
sweet@...
Sep 19, 2002 2:33 pm
The deadline for applications for the NSLS's winter 2003 cycle is the end of the NSLS working day (5PM EDT) on Monday 30 September 2002. Six beamlines are...
484
steve alam
salamutah
Sep 19, 2002 4:07 pm
Dear CNS users: I would like to thank the following for their fast response to a question on how to refine a metal ion in CNS with NMR restraints: Jeffery Bell...
485
Kyung Hyun Kim
khkim@...
Sep 23, 2002 1:29 pm
Dear CNS users, I am trying SIRAS using cns. It seems heavy search can utilize both isomorphous and anomalous signals. However, I am not so confident from the...
486
Albion Baucom
baucom@...
Sep 23, 2002 4:45 pm
I am attempting to do a simulated annealing of a large RNA molecule and I get the following error message when I begin the torsional dynamics portion of the...
487
ginell@...
Sep 23, 2002 8:46 pm
488
Jose Trincao
jose.trincao@...
Sep 23, 2002 10:59 pm
Hi, I'm trying to run CNS to do MIRAS using a Hg derivative. I created a library file with the F' and F'' of Hg at the wavelength the data was acquired but ...
489
Kay Diederichs
kay.diederichs@...
Sep 24, 2002 7:15 am
Albion, you don't specify how you compiled CNS. If you used the distributed 'arch_env' to set compilation variables, I think your job hits the limits of 32bit...
490
Albion Baucom
baucom@...
Sep 24, 2002 5:36 pm
... OK. I compiled with the native MIPSpro compiler (7.3.1.3m) using the distributed arch_env. I changed the -32 to -64 and recompiled. This looks hopefull. ...
491
Jack Tanner
tannerjj@...
Sep 24, 2002 9:03 pm
ASSISTANT/ASSOCIATE PROFESSOR OF BIOCHEMISTRY The Department of Biochemistry University of Missouri-Columbia invites applications for two tenure-track...
492
Scop authors
scop@...
Sep 27, 2002 9:44 am
Medical Research Council- Centre for Protein Engineering Research Position to work on Structural Classification of Proteins [Ref:CPE/802/11] Applications are...
493
Sonnhild Janke
sjanke@...
Oct 2, 2002 5:04 pm
Hi, I am trying to calculate a unit cell or asymmetric cell map with model_map.inp. Setting map_mode to unit only generates map near the model. Box and fract...
494
izzy_my
Oct 4, 2002 7:55 am
Hi we hv install CNS on to a Sun server running Solaris. However, we are stuck at the source file....which means that we caN'T make file. has anyone actually...
495
Dr. Mark Howard
m.j.howard@...
Oct 7, 2002 10:18 am
Hi, I have got compiled CNS to run on all our SGI and Linux (SuSe 7.2) systems here with no problems. So I thought the same would be the case with my two Sun...
496
Grzegorz Raszewski
greg1@...
Oct 8, 2002 10:39 am
Hi everyone, I know that this is not connected to cns, but anyway. I tried to calculate Occluded Surface of ligand with os_v72, unfortunatlly after several ...
497
Amjad Farooq
amjadfarooq
Oct 10, 2002 3:59 pm
Dear all, I am trying to calculate the NMR structure of a symmetric dimer using the ARIA/XPLOR software. Using the NCS option (non-crystallographic symmetry)...
498
kg_nj
Oct 10, 2002 8:08 pm
Hello, I'm a new user to CNS, and I have encountered a problem after generating my search model. I have inputted the required fields into cross_rotation.inp,...
499
Bostjan Kobe
kobe@...
Oct 14, 2002 12:36 am
POST-DOCTORAL POSITION IN PROTEIN CRYSTALLOGRAPHY UNIVERSITY OF QUEENSLAND, BRISBANE, AUSTRALIA Applications are invited for a post-doctoral position in...
500
Amjad Farooq
amjadfarooq
Oct 15, 2002 3:39 pm
Dear all, Thank you all for your helpful suggestions and comments with the calculation of a symmetrical dimer (using the ARIA/XPLOR program) that I was/am...
501
Luc Moulinier
moumou@...
Oct 17, 2002 2:20 pm
hello all ! I generate hydrogens for my protein, using protein.top and protein.param files. ... Closed bonding networks have been detected. The bonds between...
502
lhtibp
lhtibp@...
Oct 18, 2002 4:24 pm
Dear All, I have two questions. The first is: while refining a structure at 3.5 angstrom with minimize.inp in CNS, the overall B-factor was corrected to...
503
lhtibp
lhtibp@...
Oct 19, 2002 5:33 pm
RE: [cnsbb] Zero overall B-factor and Multi-start model structural-factor averagingThank you very much, Carsten. The second problem has been solved now. But...
