Dear all. I'm incorporating the residual dipolar coupling data in a structural calculation using CNS 0.9a . My protein have got 76 residues. When I use the...
Dear sir, I am refining a struture on catalase inhibitor complex. For that the toplogy file in the xplor format for heme and NADPH has not been accepted and...
Dear CNS users: I'm a new user of CNS so please excuse this posting if it is old news. I did not see similar posting in the archives. I've been using Dyana...
Hi Everybody, I usually use xplor for my NMR structure calculations . Because cns offers some nice new features i just wanted to recalculate some of the ...
Semaia Pharmaceuticals (www.semaia.com) is a young, expanding biopharmaceutical company with laboratories in Dortmund, Berlin, and Utrecht. We have an...
Dear all, Sorry I wasn't quite clear about my query, I have already generated the cns mtf file with the correct linkages but how do I translate the mtf to look...
Hello, all, I first refined my structure with X-plor 3.851, and later I changed to CNS for further refinement. I have a question on the cv files used in x-plor...
Dear CNS/X-plor users, Since the startup of the mailing list cnsbb@yahoogroups.com in early April this year about 480 people have joined this list. Scientific...
Dear all, I am trying to solve a structure by molecular replacement with CNS and EPMR and have been getting some strange results. I've tried two different...
Hi all, I am trying to refine MAD heavy atoms and phasing, using mad_phase.inp. I get the following error message. ... %MODULE error encountered: undeclared...
Dear all, I checked some the input files used in the refinement within CNS and found that the default: . . . {* apply rejection criteria to amplitudes or...
Hello All, I am new in protein crystallography. I am refining one structure in P1 space group with tetramer. (16 monomer in asymmetric unit). I want to ...
I too have problem installing xplor on LINUX (SUSE 7.0). I had to install fort77/f2c prior to compiling XPLOR. I get a late error message saying: fort77...
I have trouble with conpiling xplor to Linux alpha. If someone did this successfully, could you tell me how you did it? I really appreciate any comments or...
Greetings, I have just started exploring the possibility of using Xplor to apply orientation constraints obtained by solid-state nmr to anneal structures of...
I did a complete re-install in a different directory. Then it worked. For some reason when I un-tarred and re-installed in the same directory the error did not...
Dear all, Does anybody know where can I find values of VDW atomic radii which CNS uses for solvent mask calculation. There are some values in parameter files,...
Dear all, I am relatively new to the structural millieu having recently submitted my thesis, I am currently working on the refinement of an Fab molecule using...
Does anybody know what the rama term in the cns-energy statement refers to? Does this use the ramachandran diagram as a restraint map? Is it active? Thanks...
Hello folks. I've got two questions. 1) I have been refining a model in CNS version 1.1 with strict NCS, and now want to shift to constrained NCS. Is there a...
Dear all, I'm incorporating the residual dipolar coupling data in my structural calculation by CNS1.0. Below is the function used by CNS in anneal.inp to...
Dear All I want to refine a structure of a DNA analogue with 5-Bromo-Uracil in it. I have set up my parameterfiles in analogue to 5-Iodo-Uracil. The problem is...
PLEASE DO NOT RESPOND BACK WITH MERITS AND COMPARISONS OF OS'es. Dear Developers, I would like to know what the outlook is for crystallographic software on the...
Hi, While calculating map I felt the following problem... ... There is not enough memory available to the progra. This may be because of too little physical...
Dear CNS people, When running a density modification job on a 4 wavelength Se MAD dataset (CNS 1.1, script density_modify.inp) I got this error in the CNS...
BS"D I thought I saw this discussed before, but is there a way to do a real space R-factor search in CNS around a fixed point, say a metal position (possibly)...
Hello all, We've experienced two cases in which CNS solvent flattening procedure (including flipping) produced such good maps that subsequent molecular...
