Dear all, I am refining a crystal structure which diffract to 1.9Å. Since this crystal is very isomorphous with another crystal which diffract to 2.2A (Rfree...
Dear all, Further to my previous post (segmenation failed error), the problem was solved by compiling a new version of f2c. However, I noticed that the program...
Dear all: I have a question about refine.inp. After some refinement, my model has Rfree of 0.25, which is very good for my 2.2A resolution data. After locating...
Hi All, I'm trying to generate the .mtf and .pdb files for my tetramer protein structure using generate_easy input file. The job keeps crashing with an error...
Dear all, I have a question about refine.inp. I located three SO4 ions and one glycerol through Fo-Fc map. Then I manually build them into my model. In the CNS...
Dear all, I have a question about occupancy refinement. After a couple of refinement, my model has Rfree=0.25 with 2.2A data set. When I want to refine the ...
Hi all, I have a question about the inversion center. Let us say that you have a unit cell for a protein that contains an inversion center, and you are trying...
Dear Sirs, We are proud to announce that the next generation of the VEGA package for Windows is now available (http://www.ddl.unimi.it/vega/index.htm) with new...
Hi everyone Is there any soft pack freely available, that is able to calculate X-ray patterns (distances, perhaps?), from model structures? Best regards, León...
Dear all, I have a MAD 3 wavelength data set in P1 s.g. containing about 95000x3 relfections. When I am trying to merge these data sets I have the following...
Dear all: I have a question about water picking refinement. My crystal diffracted to 2.2A. After some refinement and one round of water picking, Rfree is...
Hi, everyone: I have a question about the "strange" electron density. After a couple of refinement and one round of water picking, my model matches the...
Hi * First time ... I've got a doubt, and would greatly appreciate if someone can enlight me a bit. Although I'm not a spectroscopist, I've heard someone in ...
Qun, When the number of parameters is increased, for e.g., in going from bgroup to bindividual, you will see a drop in Rfac and Rfree only if the above...
Dear all, I have a puzzle about bindividual refinement. When I rebuild my model and finish bgroup refinement, I want to do bindividual refinement. To my ...
hi, everyone I have a MAD dataset of a Fe4-S4 cluster containing protein. SnB found cluster sites position with data resolution from 4 to 20 angstrom. When I...
Dear all: I recently met problems on dealing with non-standard residue with CNS. My non-standard residue is CSW and a part of the peptide chain. I got the...
Hi, I am getting an error in NMR structure determination during embedding and bound smoothing. The error is missing coordinates in sub-structure. Why this...
NSF-funded post-doctoral position available immediately to develop methods for molecular modeling of proteins and protein-RNA complexes from sparse distance...
Hi everyone I am a new user of CNS, here I have several problems with this program. After get a bunch of nmr structures, how to select those structures with...
... CNS normally has no problems reading J coupling restraints so long as you have them formatted correctly and have set up the Karplus curve for them ...
Dear group, I was trying to search the archive for information on MIRAS but didn't have any luck. I was wondering how to include anomalous differences into a...
Hi Everyone, I am trying to refine a structure that contains both PO4 and WO4 ions, but am running into the following error: %XRASSOC-ERR: missing SCATter...
When creating wildcard assignments for Leucine methyl hydrogens (no steroassignment information is available) ... which is more correct? assign (resid # and...
Analytical Chemist/Mass Spectrometrist - Houston, TX I am assisting to recruit a Analytical Chemist/Mass Spectrometrist for a pharmaceutical company located in...
Hi CNS users, I am working on an NMR structure calculation using CNS and would like to include proton chemical shifts. I was not able to find a sample input...
Hello! I have been trying to calculate a few maps using Se-met positions for phasing. The maps look OK as far as separation between protein and solvent region...
