i assume this is a molecular replacement problem ? with an r-value stuck at 0.65 my guess is that your solution is wrong. and given that - how do you know what...
We are seeking a computational macromolecular crystallographer with experience in software engineering. The individual should have extensive experience with...
340
Gosu RamaChandraiah
gosu@...
Jan 15, 2002 8:03 pm
Hi, Is there any provision for distance dependent dielectric constant in Conjugate gradient energy minimisation with no experimental energy terms ? with...
dear Gosu There is a input line for Dielectric Constant in the scripts model_minimize and model_anneal.inp in CNS.. According to the help the default value (1)...
342
Sabine Ruth Quadt
sabine.quadt@...
Jan 21, 2002 3:37 pm
Hallo, Can someone tell me, how the input while for dipolar couplings should look like? Thanks, Sabine...
343
Alain Dautant
A.Dautant@...
Jan 22, 2002 1:46 pm
Coli". 1996 Missions au LURE (Laboratoire d'Utilisation du Rayonnement Electronique) - Collectes de données de diffraction sur les lignes de lumière DW32 et...
Dear all, The last message from Alain Dautant contained a virus. Please do not execute the attachment "structurale.com". Best regards, Winfried Meining...
345
Sunando
mbusun@...
Jan 24, 2002 3:05 pm
For last couple of months I am not getting any emails from Cns group? Could some one please help me what is the problem? and how to rectify it? --...
346
Tsan Xiao
tsanxiao@...
Jan 24, 2002 6:22 pm
Hi, all, I am seeing negative fo-fc densities at my disulfide bond between the two sulfurs. The -s-s- was specified in the generate input file and the -s-s-...
347
Robert Sweet
sweet@...
Jan 25, 2002 2:57 pm
The deadline for applications for the NSLS's summer 2002 cycle is the end of the NSLS working day (5PM EDT) on Thursday 31 January 2002. Six beamlines are...
348
hongmin LI
lih@...
Jan 25, 2002 3:13 pm
POSTDOCTORAL POSITION Wadsworth Center, New York State Department of Health, Albany, NY Applications are invited for NIH-funded postdoctoral positions in Dr. ...
349
Robert Sweet
sweet@...
Jan 30, 2002 3:05 am
The deadline for applications for the NSLS's summer 2002 cycle is the end of the NSLS working day (5PM EDT) on Thursday 31 January 2002. Six beamlines are...
350
Fang Wu
fangwu@...
Jan 30, 2002 7:36 am
Is there a way in CNS to calculate the structure factors for powder pattern data? Or, can anybody teach me how to output all the calculated structure factors...
Postdoctoral Position in Protein Crystallography and Structure-Based Drug Design A postdoctoral position is available at the Center for Structural ...
352
Etienne Ladoine
eladoine@...
Feb 4, 2002 2:53 pm
Dear all, I recently collected SAD data on a SeMet subsituted protein. Resolution is 1.6 Angstrom, data 99% complete, spacegroup P212121. 8 selenium sites...
353
Poul Nissen
nissen@...
Feb 4, 2002 9:59 pm
Centric reflections contain no anomalous signal - only your acentric reflections have been phased by SAD. You should just forget about those weired statistics...
354
Robert Sweet
sweet@...
Feb 7, 2002 7:31 pm
... This will be the fourth offering of our course Rapid Data Collection and Structure Solving at the NSLS: A Practical Course in Macromolecular X-Ray...
355
Phil Jeffrey
phil@...
Feb 8, 2002 10:27 pm
Pentium IV Xeons running RedHat v7.2 I have CNS 1.0 and 1.1 running under g77 already, but I'm attempting to compile it again using the Intel Fortran compiler...
356
Sunando
mbusun@...
Feb 10, 2002 5:37 pm
Dear CNS and O users This is a off track query. Does any one have experience in quasi crystal? I am growing my protein crystal from 30% PEG 4k in reservoir...
357
Sunando
mbusun@...
Feb 12, 2002 6:35 am
Thanks to all for prompt response..Just like CCP4 bulletin I would like to brief the messeges I got... 1. S Krishna <krishna@...> wrote.. I recall...
358
Etienne Ladoine
eladoine@...
Feb 13, 2002 9:34 am
Dear all, when trying to refine a complex between protein and ligand, I get the error message shown below. The ligand consists of two xylose residues, linked...
Hi Etienne One easy solution would to be take a di-xylose and drop it into the PRODRG server at http://davapc1.bioch.dundee.ac.uk/programs/prodrg/prodrg.html ...
360
Gerard "DVD"...
gerard@...
Feb 13, 2002 9:51 am
solution: treat the ligand as a rigid group during torsion dynamics find the following lines in your refine/anneal input file and change to: {* select atoms to...
Dear All, I ran the refine.inp script under CNS ver 1.1 to do 5 cycles of torsional annealing followed by minimization. The program consistently writes out the...
362
Gerard "DVD"...
gerard@...
Feb 13, 2002 4:35 pm
that's simply because the refinement isn't finished until all N cycles requested by the user (in your case 5) have been carried out. so the solution is...
363
Luke Rice
lrice@...
Feb 13, 2002 6:04 pm
This problem arises because the torsion angle dynamics thinks the ligand is too flexible. It sees a topologically closed system wherein every bond is free to...
Hello, all; I am currently running XPLOR simulated annealing for NMR structure determination and received this discouraging message from the program prior to...
365
evrard
evrard@...
Feb 22, 2002 9:12 am
Hello I am trying to install the CNS1.1 version on a silicon indigo2 R10000. rmnmod3 nat 88>make g77install copying files in instlib directory g77-unix to...
366
evrard
evrard@...
Feb 22, 2002 12:29 pm
Hello, I send a mail this morning about the CNS1.1 installation. Some of you reply to me that I have not the gcc compiler, but I recently install this with no...
Hi, Do the first two NOE statements have the same effect of distance restraint as the 3rd during CNS structure generation? assign (resid 1 and name HN) (resid...
