In searching the archives for "xplor linux", I found only 3 relevant posts, all old, none describing a successful installation. I too have met with...
382
evanmdphd
Mar 15, 2002 1:24 pm
I have read in the CNS documentation that the program will compile using parallelization if you have the PFA (power fortran analyzer) compiler. I looked...
383
Evan Stein
evanmdphd
Mar 18, 2002 7:46 pm
On the recommendation of a few people, I've tried just compiling with the -mp flag and linking to the complib_mp without PFA. The compiling was successful but...
384
Evan Stein
evanmdphd
Mar 18, 2002 10:49 pm
For the purpose of complete archives, a few people have requested that I summarize the responses I received regarding my parallelization request... ... My...
385
Leonard Thomas
thomasle@...
Mar 19, 2002 6:49 pm
Hi I have just compiled CNS under Redhat6.2. Everything seemed to compile fine and appeared to run ok, much faster then on the DS20's we have. Unfortunatly...
386
Edward Berry
eaberry@...
Mar 19, 2002 7:05 pm
... It looks like something replaced an "r" with a newline in your .inp script, converting: fix selection=( store9 ) end into fix selection=( sto e9 ) end ...
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Kay Diederichs
kay.diederichs@...
Mar 19, 2002 8:59 pm
Leonard, I have seen similar problems and at one point I thought that it was a ifc/NFS interoperability problem. One data point is that cns_solve sometimes ...
388
Leonard Thomas
thomasle@...
Mar 19, 2002 11:27 pm
Hi agian, I recived a number of responses and to those who pointed out that it was a typo, buzzz wrong, that was what I thought at first but after redoing the...
389
Coles Murray
muzcoles
Mar 20, 2002 9:34 am
I´ve been offline for a few days and don´t know whether anyone had an answer for a question I had a week or so ago - is it possible to make a call to unix...
390
lothar esser
lesser@...
Mar 20, 2002 2:43 pm
... Have not tried perl but what about something like this: CNSsolve>eval ( $H="string") CNSsolve>system echo $H string -- system executes commands in a shell...
391
Coles Murray
muzcoles
Mar 20, 2002 4:37 pm
I have had a couple of replies and have the answer to my question. It is ... will execute the command line specified in $string, allowing one to pass values to...
392
Edward Berry
eaberry@...
Mar 22, 2002 3:31 am
I'm looking for well-researched topology/param files for heme and heme C (heme covalently bonded by thioethers to the vinyls). Does anyone have some to share? ...
393
David Keire
dkeire@...
Mar 26, 2002 7:16 pm
Hello All, Excuse this post if it is a bit off-topic. I am learning my way around CNS but would still like to run some old XPLOR scripts. I have a large amount...
394
Kay Diederichs
kay.diederichs@...
Mar 26, 2002 7:25 pm
I seem to remember that the XPLOR distribution comes with its own Makefiles, in other words, you should probably not try to start from a makefile that was made...
395
Rajhansi Raj
rajhansi79
Mar 27, 2002 12:24 am
Hi! I would like to know whether some one has the coordinate topology and parameter files for formate for the CNS suite. If so, could you please e-mail the...
396
Gerard "DVD"...
gerard@...
Mar 29, 2002 9:21 pm
i suspect that the message below may be of interest to some cns users who do not read the ccp4 mailing list --gerard ... Date: Fri, 29 Mar 2002 21:11:44 +0100...
397
Eugene Leitl
e_leitl
Mar 31, 2002 10:18 am
Apologies for an off-topic message, but I think this is important. Read on. Yahoogroups just did something outrageous: they silently added something called...
398
jbjorda
Apr 2, 2002 6:30 pm
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...
