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 ...
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)...
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...
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...
Dear all, I am using NOE and dihedral angle constraints for structure determination. Without much experience of CNS, I generally use default parameters for...
Hi DC, Try setting $kang=50 instead of $kang=500 in the parallhdg.pro file in the toppar subdirectory. Regards, Amjad ... ...
506
Safro Mark
Mark.Safro@...
Oct 22, 2002 9:31 am
Dear all, I am wondering, whether someone can provide us with the source file of XPLOR 3.1 . Thanks in advance for the help, Mark Safro -- M DSuper-User...
I cannot seem to add a C-terminal amide to a peptide in when using cns 1.1 for windows-nt. Using the presidue CTN in protein-allhdg.top, I am trying to add the...
508
Thomas Simonson
simonson@...
Oct 24, 2002 1:06 pm
Dear CNS and X-PLOR users, This is to announce the release of a Generalized Born module for both CNS and X-PLOR. The Generalized Born model is an efficient and...
Dear CNS Users, I have been trying to install CNS on RedHat Linux 7.3, and it seems to me that the compiling is not working properly. ... xrmani.f:436: ...
... This is a common problem for f77 programs using HEAP arrays. These flags fix it: -fno-globals -Wno-globals The default for CNS in Linux is to use fort77, a...
i have been unable to track down the source of an error message i have been recieving while doing an NMR structure calculation. parameter if (&par.1 # "") then...
Dear CNS users, I am having problems with CNS calculation and I would appreciate any help. ... %WDSUB-ERR: symbol not found: REMARK class 2:...
513
Daniel John Rigden
daniel@...
Nov 6, 2002 6:45 pm
Hi Does anyone have positive experience of water_pick.inp? I've tried it (Linux g77) on a variety of proteins but it always fails with NBONDS: found 2...
514
Daniel John Rigden
daniel@...
Nov 6, 2002 7:04 pm
Thanks Chris The plot thickens. water_rep.param IS being read... PARRDR> @@¶meter_infile_2 ASSFIL: file ...
515
dirk reinert
reinert@...
Nov 11, 2002 6:24 pm
dear cns-users, i am trying to refine a structure containing a flexible ligand which is forced in a very strained conformation - a 26 atom long chain that is ...
516
Daan Virtual
vdava@...
Nov 12, 2002 9:43 am
Hi Dirk Is your small molecule topology OK? The one you get from the PRODRG server (http://davapc1.bioch.dundee.ac.uk/prodrg) includes a separate weighting...
517
Tristan Fiedler
tfiedler@...
Nov 14, 2002 1:56 am
Dear CNS users, We are using the molecular replacement suite within CNS. According to the website (http://cns.csb.yale.edu/v1.1/), the default value for the ...
518
Daniel John Rigden
daniel@...
Nov 14, 2002 11:08 am
Hi Thanks for the mails related to my water_pick problem, but I'm still having problems. Several people report using water_pick.inp fine, including in the...
519
James Stroud
stroudj@...
Nov 18, 2002 5:51 am
Somewhere, I have seen reference to scripts that extract important info from cns log files. Does anyone know where I might find such scripts? James ... ...
520
gamorim@...
Nov 25, 2002 3:58 pm
Dear All, I am doing NMR structural calculations on CNS_SOLVE 1.1 (linux box). I am having the following error message in the NOE table: output file: ... ...
Gisele, ... This means that the atom selections at either end of your NOE restraint share a common atom - the error is non-fatal and the restraint will be ...
522
Guan
ziweiguan@...
Nov 27, 2002 7:54 pm
Dear all, I have a data set collected in CHESS, which was processed to 2.8 A with Rmerge of 6.4% and completeness of 97.2%. But when run truncate, the wilson B...
523
Poul Nissen
nissen@...
Nov 28, 2002 8:46 am
If 2.8 Å data was the absolute resolution limit of your crystal using intense synchrotron radiation, then an overall Wilson-B of around 80 would not seem...
