Hello, I have been generating maps using 2fo-fc.inp and fo-fc.inp CNS version 1.1 with Linux Fedora Core 2.0 operating system. I have been getting a warning...
1421
Adam Mazur
adam_mazur
Apr 4, 2006 2:24 pm
Hi everyone, I'd like to know if it's possible to perform cluster analysis with CNS or XPLOR? If not, what software do you use? I mean clustering based on...
1420
xiulian du
xiulian.du@...
Mar 31, 2006 9:09 pm
Hi, all; I want to Generate coordinate and structure file for my simple model with generate_easy.inp. However, after running, it gave the following message: ...
1419
Mark A. White
white@...
Mar 31, 2006 4:22 pm
Bijan, First, the error messages are normal, and are only a warning. The VDW interactions for those atoms should be turned off by the igroup statement. Does...
1418
Mark A. White
white@...
Mar 30, 2006 4:27 pm
Prem, Yes, is it unusual to add waters below ~3A resolution. However, you should let the density and stereochemistry be your guide. Are your water densities...
1417
jhhong7546
Mar 29, 2006 5:25 am
Hi all, It's my pleasure to join in this group and to share something with you people. Today I want a get some help. We have used linux( Fedora Core 4) for...
1416
Paul Adams
PDAdams@...
Mar 26, 2006 8:09 pm
A reminder that the 2006 Gordon Research Conference on Diffraction Methods in Structural Biology will be held in July this year (see below for details). The...
1415
rileyduff
Mar 24, 2006 7:14 pm
Hi everyone, I was wondering if anyone has an example 3-bond J-coupling non-glycine restraints input file (from HNHA data) I can use for CNS version 1.1, in...
1414
Srini vasagan
srinibio
Mar 23, 2006 5:48 am
hi i need one help molecular file converter software, 2D to 3D converter software and active site prediction software. please me quickly... thank you... sri.. ...
1413
Kevin Jude
kmjxxx
Mar 22, 2006 6:05 pm
Ben- 1) If your data are to high enough resolution to warrant using hydrogen atoms, you can create new topology and parameter files using xplo2d (part of the...
1412
bobay20002000
Mar 22, 2006 5:44 pm
Hello cnsbb - I have a couple of questions regarding the generation of non-standard ligands for use in cns. I have a pdb of my "new" ligand with hydrogens and...
1411
Avinash Gill
avinash_gill
Mar 20, 2006 9:24 pm
Hi everyone. Does anyone know if changing the random number seed in composite omit map calculations can result in drastic effects on the omit map being ...
1410
Michaeleen Bell Calla...
molly1lblgov
Mar 20, 2006 6:21 am
Hi, I am calculating an NMR structure of a protein/DNA complex using the "anneal.inp" script. I would like to use the "dna-rna_restraints.def" to restrain the...
1409
Winfried Meining
wmeining
Mar 7, 2006 2:33 pm
Dear ccp4bb, cnsbb and O communities, I would like to officially announce X T A L B A S E a new powerful web-based crystallization and crystallography data ...
1408
franck_vendeix@...
frnckv
Mar 2, 2006 8:39 pm
Hi, I use CNS for RNA structures calculation (by using torsion angle molecular dynamics). I am getting this message: %ATMCHK-ERR: unknown coordinates for atom...
1407
Aalt-Jan van Dijk
aaltjan
Mar 2, 2006 9:06 am
hi Shaodong, I think you have to correct the carbo_i_resid_?=??? and carbo_j_resid_?=??? entries: now they are randomly numbered; they should start at 1 and be...
1406
Dai, Shaodong
dais@...
Mar 2, 2006 12:40 am
Hi everyone, I have a protein dimer with 12 carbohydrates bound. But it seems generate.inp can only deal with 6 sugars and always add oxygen to the rest. Is...
1405
robreutzel
Feb 28, 2006 4:26 pm
Hi guys, I have a rather simplistic question regarding the graphics modelling program coot. I am currently baton building and now would like to mutate the...
1404
webtrekus
Feb 23, 2006 7:38 am
Hi, before I used RDC to refine the structure, I normalized the CACO RDC to NH, it works fine, but when I run MODULE, Da for NH is always lower that the Da for...
Hi ! I'm new to CNS and i'm looking for a visualization software (to visualize CNS trajectory files). Is there anybody who can give me the name of such...
1402
gaobie
Feb 20, 2006 4:49 pm
Thanks for the comments. Here is what I did. ... This is exactly what I did. When I say -30 for 75, it is actually -25 for 65. The worst thing is, from -30 to...
1401
gaobie
Feb 20, 2006 7:24 am
Hi there, Does anyone use the strategy program in HKL2000 routinely for design data collection strategy? I tried to use it in several occasions but failed,...
1400
Phil Jeffrey
pjeffrey@...
Feb 15, 2006 6:53 am
CNS isn't reknowned for taking a great deal of notice of chain labels. Did you set up generate.inp such that it used the chain label as the segment ID ? If you...
1399
robreutzel
Feb 15, 2006 12:12 am
Hello all, I am trying to run rigid on my model and I would like to break the molecule into several subdomains for instance chain B and A200 to A205 is one...
1398
fvan0987@...
Feb 13, 2006 7:05 pm
Thanks to all who responded. I did have an "END" on the last line of my input pdb file, but I hadn't hit "enter" after putting it there. Mea culpa. Thanks ...
1397
fvan0987@...
Feb 13, 2006 3:12 am
Hello, while trying the 'generate.inp' script to create a mtf file of an input PDB file, contain only carbohydrate, I get the following error: COOR> COOR> ...
1396
Mark A. White
white@...
Feb 8, 2006 8:07 pm
Hello, Does anyone have any experience in converting NOE restraints from the SANE UPL format for AMBER into CNS format? Are there programs or simple scripts...
1395
Paul Adams
PDAdams@...
Feb 7, 2006 9:13 pm
========================================================================== Gordon Research Conference on Diffraction Methods in Structural Biology July 16-21,...
1394
webtrekus
Feb 4, 2006 8:48 am
Hi, recently, I use the rdc to incorporate into structure calculation. but something was going wrong. I have two sets of data, one is RDC for NH and one is RDC...
1393
Robert Sweet
sweet@...
Feb 2, 2006 2:19 pm
Especially those who can apply as "Experimenters," bringing their own specimens, might gain admission. There may be slots for "Observers." Also very few Latin...
