Dear all, I am using NOE and dihedral angle constraints for structure determination. Without much experience of CNS, I generally use default parameters for...
RE: [cnsbb] Zero overall B-factor and Multi-start model structural-factor averagingThank you very much, Carsten. The second problem has been solved now. But...
Dear All, I have two questions. The first is: while refining a structure at 3.5 angstrom with minimize.inp in CNS, the overall B-factor was corrected to...
hello all ! I generate hydrogens for my protein, using protein.top and protein.param files. ... Closed bonding networks have been detected. The bonds between...
Dear all, Thank you all for your helpful suggestions and comments with the calculation of a symmetrical dimer (using the ARIA/XPLOR program) that I was/am...
POST-DOCTORAL POSITION IN PROTEIN CRYSTALLOGRAPHY UNIVERSITY OF QUEENSLAND, BRISBANE, AUSTRALIA Applications are invited for a post-doctoral position in...
Hello, I'm a new user to CNS, and I have encountered a problem after generating my search model. I have inputted the required fields into cross_rotation.inp,...
Dear all, I am trying to calculate the NMR structure of a symmetric dimer using the ARIA/XPLOR software. Using the NCS option (non-crystallographic symmetry)...
Hi everyone, I know that this is not connected to cns, but anyway. I tried to calculate Occluded Surface of ligand with os_v72, unfortunatlly after several ...
Hi we hv install CNS on to a Sun server running Solaris. However, we are stuck at the source file....which means that we caN'T make file. has anyone actually...
Hi, I am trying to calculate a unit cell or asymmetric cell map with model_map.inp. Setting map_mode to unit only generates map near the model. Box and fract...
Medical Research Council- Centre for Protein Engineering Research Position to work on Structural Classification of Proteins [Ref:CPE/802/11] Applications are...
ASSISTANT/ASSOCIATE PROFESSOR OF BIOCHEMISTRY The Department of Biochemistry University of Missouri-Columbia invites applications for two tenure-track...
I am attempting to do a simulated annealing of a large RNA molecule and I get the following error message when I begin the torsional dynamics portion of the...
Hi, I'm trying to run CNS to do MIRAS using a Hg derivative. I created a library file with the F' and F'' of Hg at the wavelength the data was acquired but ...
Dear CNS users, I am trying SIRAS using cns. It seems heavy search can utilize both isomorphous and anomalous signals. However, I am not so confident from the...
Dear CNS users: I would like to thank the following for their fast response to a question on how to refine a metal ion in CNS with NMR restraints: Jeffery Bell...
The deadline for applications for the NSLS's winter 2003 cycle is the end of the NSLS working day (5PM EDT) on Monday 30 September 2002. Six beamlines are...
Dear CNS users: We are trying to refine a zinc-containing protein. We've generated mtf files from folded PDBs while including the ion.param and ion.top files....
Dear Everyone, I would like to make NMR calculations on a disaccharide with an unusual interglycosidic linkage, a disulfide bond. If I understood it correctly...
Dear All, I am a bit confused about the choice between protein.param and protein_rep.param when selecting parameter files to use in refinement with CNS. The...
Hi, everyone, Now I am calculating my solution structure using CNS1.1. In the anneal.inp file there are several choice for ... {* NOE averaging modes *} {*...
Hi, If somebody knows how to weigh the NOEs in the CNS. I have a Zinc-Cluster and I would like to weigh the Zn NOEs stronger than the others. I'd really...
Hi, I'm trying to refine multiple conformations in CNS. The pdb contains 4 monomers. One residue has its side chain in two conformations in only 2 of the 4...
Hi Could anyone offer me an explanation for the following, or suggest some reference? Recently, I solved a structure of a coiled coil, chemeric protein ...
Dear All, I was trying to do "torsion" angle refinement for an enzyme-ligand complex without crystallographic data using model_anneal.inp (CNS_0.4). At the...
I would guess the decrease in R-free from 31.4 to 28.2 is the drop (quite impressive!) that you get from building in more of the model, offset to some extent...
Thank you very much for the reply. Actually I did exactly what you suggested as I state in the last paragraph of my original post. And in the fresh annealing...
Can someone please explain to me why the following is occurring? I am refining an enzyme-inhibitor complex that diffracts to 1.7 A solved by molecular...
