How do I include the NCS (non-crystallographic symmetry) operations in Fo-Fc map calculations using XPLOR? I have included the statement @ncs_matrix.file in my...
840
Robert Sweet
sweet@...
Jan 5, 2004 3:15 pm
We are offering RapiData 2004, the sixth offering of our popular course: Rapid Data Collection and Structure Solving at the NSLS: A Practical Course in...
841
Robert Sweet
sweet@...
Jan 6, 2004 3:04 pm
Please access the web site: http://www.px.nsls.bnl.gov/ for running schedules and other information about the beamlines, including forms and instructions for...
842
Janet Copeland
copeland@...
Jan 7, 2004 1:57 pm
Subject: MSDsite enhanced service The EBI/EMBL MSDsite service announces new features. see http://www.ebi.ac.uk/msd-srv/msdsite/ (Author Adel Golovin) *...
843
Giulio Vistoli
giulio.vistoli@...
Jan 8, 2004 9:46 am
Dear all, We are proud to announce the release of VEGA1.5.1 release that is freely downloadable at www.ddl.unimi.it. Between the several new function we would...
844
Jorge Iulek
iulek@...
Jan 10, 2004 11:03 am
Dear all, I am refining a structure with sg P1 (reso up to 1.75 A), containing two monomers per au. Each monomer has several ligands and ions; as a matter of...
Dear all: I'm a new user of CNS. Who can tell me the methods to translate the NOESY cross peak's volume to the distance restraint in the CNS,or some tools can...
846
Janet Copeland
copeland@...
Jan 21, 2004 7:39 am
Registration is now open. Please see http://www.ebi.ac.uk/msd/news-events/EMBO.html for details of the course and access to on-line registration page The...
Hi, I am a new user(learning stage) of CNS and I would like to use CNS to model RNA structure from experimental crosslinking data. Has anybody done this...
Dear Eiza, What you really want is MC-SYM by Francois Major and colleagues! Have a look here: http://www-lbit.iro.umontreal.ca/mcsym/ Good luck, Luca ... Luca...
Hi Make noe restraints files, planarity file (for base pair) and dihedral restraints files.... like NMR. Then you may use classically simulated annealing. It...
Hi, I'm somewhat of a new user of CNS, and have been trying to simply take a protein structure and run some reasonable energy minimization on it. I am ...
851
Pilar Saiz Vela
psaiz@...
Jan 26, 2004 12:23 pm
Hi Ted, I've tried to do the same with the following sequence THR THR THR THR and I get you error when I use the default .param library of model_minimize.inp,...
Hello, I am a new user of CNS. I have generated, minimized, etc. my protein with a docked ligand. However, when I run water_pick the electron density around my...
Hello, I am new user of this group. I have tried to download the X-plor software. I fillup the form and they sent me the mail having passwd, but when i enter...
854
Robert Sweet
sweet@...
Jan 29, 2004 7:02 pm
We are offering RapiData 2004, the sixth offering of our popular course: Rapid Data Collection and Structure Solving at the NSLS: A Practical Course in...
Hi all Does anibody have a .top and .par files already built for group formyl? Never built a residue before. I'm trying to build this residue following the cns...
Dear BB communities, After what seems forever, I have solved my first set of crystal structures, and am done with PDB deposition. Just wanted to say thanks to...
857
Robert Sweet
sweet@...
Jan 30, 2004 7:31 pm
The deadline for applications for the NSLS's Spring 2004 cycle is the end of the NSLS working day (5PM EDT) on Monday 2 February 2004. There is an electronic...
Hello All: I am having a problem with refine.inp. Actually, it is the map building part that is causing the problem. The refinement is carried out and .pdb...
859
Gerard DVD Kleywegt
gerard@...
Feb 2, 2004 8:56 pm
... the combination of your a-axis length, the resolution and the map grid makes that cns feels that the grid along x is too coarse. in the refine.inp file ...
hi, i am trying to calculate certain stats about my structures and print them out in a separate file, not in the main output stream. i would appreciate if...
861
James Stroud
stroudj@...
Feb 3, 2004 5:49 am
Use STDERR. You can send the STDOUT of "command" to one file ("file1") and STDERR to another ("file2") with this construct: ( command > file1 ) >& file2...
also if you need to link this group in a special way different from peptide links, you'll need to build a patch residue (topology presidue) similar to PEPT (in...
i think it is not too important how you'd define the formyl proton. if you look into parallhdg.pro file you will see that almost all the parameters are the...
Dear all, Hereby i am inviting for the 8th World Multi-Conference on Systemics, Cybernetics and Informatics 2004 (SCI-2004) from July 18-21, 2004 at Orlando,...
867
Paul Paukstelis
paul@...
Feb 6, 2004 2:42 pm
I've been using NOE distance restraints (based on biochemical data) in CNS to try and dock an RNA structure onto a protein structure. I would like to try...
868
Paul Paukstelis
paul@...
Feb 6, 2004 5:26 pm
Sorry folks, I figured out how to do this, minus one little thing. How do I call random numbers in CNS?...
