Replies please to baucom@... (and/or to the list) ... Date sent: Fri, 1 Mar 2002 10:51:13 -0800 (PST) From: Albion Baucom...
372
rev
ron.viola@...
Mar 2, 2002 3:06 pm
I would like to post the following position opening for a postdoctoral fellow. Thank you for your assistance. Sincerely, Ronald E. Viola A postdoctoral...
373
Stroud James
stroudj@...
Mar 3, 2002 10:33 pm
If you are doing multiple jobs for such things as simulated annealing, etc., a very good alternative to parallelizing a lot of the routines is to use a good...
374
Robert Sweet
sweet@...
Mar 5, 2002 3:29 pm
The renovations of several beamlines at the NSLS are nearing completion. X12-C is available now with about three times the intensity it had before the...
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Mark A. White
white@...
Mar 5, 2002 5:27 pm
Postdoctoral Position in Protein Crystallography of P450s Applications are invited for a postdoctoral position in X-ray crystallography at the University of...
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Coles Murray
muzcoles
Mar 5, 2002 5:38 pm
Hello all I think I remember reading somewhere, some time ago that it was possible to make a system call in Xplor, i.e. to run a unix command (for example a...
377
Karl A. Byriel
kbyriel
Mar 6, 2002 4:20 am
... From: Jingyang Chen <jc349891@...> Date: Tue, 5 Mar 2002 10:38:21 -0800 (PST) To: cnsbb-owner@yahoogroups.com Subject: can you forward this email to...
378
Jingyang Chen
jc349891
Mar 6, 2002 6:18 am
Hi, I have a question for you guys. When I tried to generate structure file using all H topology and parameter, it says exceeding dynamic memory allot. The FAQ...
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Jingyang Chen
jc349891
Mar 6, 2002 11:48 am
Hi, When I tried to run CNS on SGI o2, IRIX6.5, it says exceeding the allot of dynamic memory and need to recompile CNS for big molecules. Anyone know how to ...
380
Robert Sweet
sweet@...
Mar 8, 2002 7:22 pm
The National Synchrotron Light Source Annual Users' Meeting is coming up: Monday - Wednesday - May 20 - 22, 2002 There are workshops, punctuated by a formal,...
381
helmingstay
Mar 8, 2002 11:03 pm
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...
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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...
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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...
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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...
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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...
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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...
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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...
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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...
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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...
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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...
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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...
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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...
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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...
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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...
