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...
1611
andrea
abinitio_mep
Sep 8, 2007 8:44 am
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...
1612
anjum_karmali
Sep 11, 2007 8:53 pm
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 ...
1615
jianhua_cai
cai_jianhua
Sep 14, 2007 7:07 am
Shanghai Medicilon Inc. is a US-Sino joint venture company which is focused on providing integrated services for pharmaceutical companies including chemistry,...
1616
iain_d_kerr
Sep 19, 2007 9:06 am
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...
1617
Jawahar Swaminathan
jswamin
Sep 19, 2007 12:51 pm
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. ......
1619
mark michaels
mark.michaels@...
Sep 20, 2007 1:01 pm
Hello Everyone, If someone could share a simple script for printing out distances between selected atoms/resids i'd be grateful. Something similar to this old...
1620
newwind0149
Sep 20, 2007 1:01 pm
Hi all, I am a new user of CNS. Does anyone know how to combine the heavy atom positions into the molecule pdb file and refine them all together? I know there...
1621
j.kurutz
Oct 3, 2007 4:17 pm
I'm having problems compiling CNS 1.2 on my Mac Intel Core Duo. I compiled it once successfully (after downloading a trial version of a special fortran...
1622
anat.bashan
Oct 29, 2007 10:03 am
Hi CNS experts, I would like to get some advice about how can I fasten the calculation of composite-omit-maps. I currently omit 10% of the structure and use...
1623
Christian Biertumpfel
cbiertue
Oct 29, 2007 4:07 pm
Hi Anat, Have a look at message 1534 from Kay Diederichs. He prepared an OpenMP patch for cns 1.2. It makes a big difference. ...
1624
rithirohan
Oct 29, 2007 4:47 pm
Hi, I'm new to crystallography and all its software. Using CCP4 for refinement. So can you tell me when to input the NCS restraints into refmac refinement RR...
1625
laobao862
Nov 5, 2007 9:42 pm
Hi, I am having problems with a structure in P3 spacegroup. I have collected several datasets for this structure, with various resolutions. Some datasets can...
1626
psherm01
Nov 9, 2007 7:14 am
hello, I am currently working with a 28 residue peptide, during refinement the "max dynamic memory allocation 193356660" is reached and I only get violation...
1627
Chris Waddling
cawaddling
Nov 14, 2007 7:49 pm
One of my users just emailed me with this query. Any assistance would be greatly appreciated in getting it fixed. Is it a problem with the user-supplied...
1628
Christian Biertuempfel
cbiertue
Nov 14, 2007 8:27 pm
Hi Chris, These errors might come from wrong data label assignments or simply a forgotten ';'. It is also worth to check if the reference wavelength was ...
1629
nsadow0006
Nov 16, 2007 3:36 am
Hello, I want to make difference electron density maps of antibiotics bound to my complex of interest at different concentrations. We have had problems making...
1630
Sanishvili, Ruslan
rsanishvili@...
Nov 29, 2007 1:42 am
Dear colleague, This is to bring to your attention that there will be a session on Structural Biology in Neurological Disorders at ACA 2008. Description of the...
1631
Sanishvili, Ruslan
rsanishvili@...
Nov 29, 2007 1:43 am
Dear colleague, This is to bring to your attention that there will be a session on Structural Biology in Neurological Disorders at ACA 2008. Description of the...
1632
Robert Sweet
sweet@...
Dec 6, 2007 4:49 pm
We are offering RapiData 2008, the tenth offering of our popular course: Rapid Data Collection and Structure Solving at the NSLS: A Practical Course in...
1633
lsvedula
Dec 13, 2007 10:29 pm
Dear cns users, I recently installed CNS v 1.2 on my mac OS X computer. I tried to run simulated annealing but the program errors out saying that it does not ...
1634
Axel Brunger
brunger@...
Dec 13, 2007 10:39 pm
You have to use the version 1.2 input files. The scalebulk module is obsolete and not used by the new input files anymore. You can download the files from...
1635
hhguan1101
Dec 18, 2007 3:11 pm
Hi cns experts: When I am using anneal.inp to refine N-glycan, the bond between Arg and glycan will be breaked? How should I keep the bond? Thank you ...
1636
Edward Berry
edwardaber
Dec 19, 2007 6:22 am
... Hi Zheng, Others can answer better than I, but for what it's worth: You have basically two methods for refining alternate, possibly overlapping, models. ...
1637
shyamala.iyer
Dec 20, 2007 6:51 pm
Hello CNS users, I am new to CNS and I downloaded cns_solve_1.2 for installation. I followed the installation steps and when I try to run cns I get the ...
1638
oldclifford
Dec 24, 2007 7:54 am
Hi, all: Happy holidays! Though our minds still running.... I have a question about which R factor to report with twinned data. In CNS tutorials, there is a...
