Dear all, I am working on a large structure and the cns map is 70MB. When I tried to use the map_to_omap utility in mapman, an error message occurred saying ...
Hi, all, I am trying to determine a structure with Molecular replacement. The data was collected to 1.7 A in R32 spacegroup with one molecule per ASU. CNS...
Hi all, I have a problem with bindividual_twin. I am refining a perfect twin (2200 atoms, 6mol, ncs, P32, poor poly Ala-MR model) and rigid_twin, anneal_twin...
Hi all, I have a quite large system (23000 atoms) and I have a problem with water refinement. This is the error: %GENRES error encountered: exceeded MAXA...
Dear all Thanks for your many suggestions. These included partial disorder in the ligand, incorrect chirality, bond cleavage, D/L isomerisation of the...
Dear all I have a problem with the ligand in my protein-ligand structure: it's a peptide analogue and one of the peptide bond N atoms shows a very strong ...
Hi everybody, I have a probleme at protein water refinement. It's an heme containg protein. I made the parameter and topoology files, as well as, patches to...
Hi folks, I'm running a simulated anneal with CNS on my structure, which contains four molecules in the ASU. The input file containes 9735 atoms and the...
Dear List, One post-doctoral fellowship will become available at the IBS Grenoble in 2007. The funding body has selected three themes of research and invites...
Dear, cnsgroup, Does somebody know how to generate .mtf and .pdb files for DNA? I want to calculate the NMR structure of the protein-DNA coomplex, but I don't...
Hello All, I am forwarding a message below about a database program (LIMS for Crystallography). The authors are looking for testers and feedback on improving...
I am having trouble with minimize.inp distorting the geometry of a custom residue that I have created. The residue has an adenosine linked to a vanadium atom...
I'm trying to add symmetry restraints to my NMR structure calculation, I thought I solved this a while back but was apparently wrong. According the to the...
Hello, I've used the accept.inp procedure offered on the CNS website to calculate an average structure. Looking at the result in MolMol, many bonds look too...
Hello, I'm new to this group and to crystallography in general so forgive me in advance for asking a potentially dumb question. I'm trying to use CNS to phase...
Yuhe, You stated that you have only performed one B-overall refinement. This means that your B-factors are all way off, and your minimization may be stuck in...
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Maybe there's something I'm missing - but how do academics outside the US download CNS if they don't have a .edu email address? The robot at yale just looks at...
Dear All, Although it has been discussed before, I am still not clear as to how to add a modified cysteine (CSO) to the refinement such that it can 'form a...
Hiya, I have two ligands partially bound at the same site. I can can clearly resolve the densities of each ligand as they are superimposed. If i refine with...
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A NIH-funded postdoctoral position is immediately available to continue our study on the crystal structures of hematology-related proteins (Nature Structural...
Hi, I am trying to include RDC restraints (just got them this afternoon) in my structure calculation. Using the following format: assign (resid 500 and name...
A reminder that the 2006 Gordon Research Conference on Diffraction Methods in Structural Biology will be held in July this year (see below for details). The...
Hi all, I am new in cns. this is a just a curiosity. I have a small sequence of a peptide with two CYS in position 1 and 5. I'd like to make a disulfide bond...
Dear CNS users, As part of a current effort to improve PDB deposition and archiving procedures for icosahedral viruses, we are looking at the possibility of...
Dear cns experts, I'm using CNS to do SA refinemnet and find solvent density and solvent B-factor became unreasonable using default bulk solvent model(PROBE=1 ...
Dear cnsbber I get the errors; %PARRDR-ERROR and %PATCH-ERR when I am using generate.inp with a file containing protein, a prosthetic group and ligands. Would...
Dear crystallography experts, I wonder if it is better to use m*|Fo|^exp(i*phi_calc) map instead of (2*m*|Fo| - v*D*|Fc|)^exp(i*phi_calc) where m and D...
Seeking Production Chemists (I, II, III) for a biochemical company located in Torrance, CA. JOB FUNCTION: The job function of the Chemist is to be a part of a...
