Hi, ALL Im trying to install CNS 1.1 in Dell Precision 690n (Xeon dual core) RH EW4 Linux. I got the error below ... the architecture of the machine is unknown...
Are the atom types in the .mtf files sometimes different than the types specified in the topology parameter files? I've tried CNS on a number of proteins from...
Hi, I am trying to extend MN's xplor2diana3.inp from ARIA 1.2 to do the full IUPAC atom name conversion i.e. change HN to H. I have hit a syntax problem - I...
Hi, ALL Im trying to install CNS 1.1 in Dell Precision 690n (Xeon dual core) RH EW4 Linux. I got the error below ... the architecture of the machine is unknown...
We are attempting to estimate the relative occupancy of Zn++ at a site in our protein; we think that the site is occupied by both Zn++ and Mg++. The plan is...
Hi all, I am a new user of CNS. Is there any tutorial or manual which describe how to manually generate distance constraints input file? I need to get a rough...
Hi Everyone, I would like to calculate the volume of water separating/around the different asymmetric units in my unit cell. For example, there are some...
Axel Brunger is not against new additions to CNS, but wants to avoid investing more time into code maintenance. I am interested in adding new features to CNS...
Dear CNS users: I am a new beginner of CNS.Now I want to calculate a NMR structure of a modified peptide which contains an acetylated lysine.I've searched the...
Dear colleagues, I am trying to run a molecular dynamics simulation with the model_anneal.inp in CNS. The system consists of a protein surronded by water...
I am new at creating protein structures and the program, and having issues. After using distance and dihedral refinements (dgsa_hybrid.inp), my helices were...
A postdoctoral position in biomolecular NMR will be available starting Oct. 1, 2006 to study the structure and mechanism of neuronal calcium sensor proteins...
Hi all, I have obtained calculated RDCs from PALES and I would like to incoporate them into the CNS calculation. However for the SANI alignment tensor, what...
SENIOR RESEARCH & DEVELOPMENT CHEMIST - Torrance, CA I am assisting to recruit a Senior R&D Chemist for a biochemical company located in Torrance, CA. Below is...
Hi all, How do I make a cyclic peptide starting from file coordinate (e.g. file.pdb) using generate.inp? I have a file.pdb and using generate.inp cns add the...
PROCESS DEVELOPMENT SPECIALIST - Torrance, CA I am assisting to recruit a Process Development Specialist for a biochemical company in Torrance, CA. You will...
Dear structural(-ly interested) biologist ! HIC-Up, the Hetero-compound Information Centre - Uppsala, has been updated and now contains information on 6,613...
Our client in Lenoir, NC is seeking a Quality Assurance Manager. The Quality Assurance Manager will be responsible for managing the company's Quality Assurance...
Hi all, I have a file.pdb and I'd like to add to the N-terminus and C-terminus some residues. Is there the possibility in cns to use the file.pdb as starting...
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...
