[CNS Yahoo group] CNS1.3 installation
CNS1.3 installation
Hi Please tell me how to install CNS 1.3 on ubuntu on i686 architecture. Is binary installation (cns_solve_1.3_all_intel-mac_linux.tar.gz) possible on i686 or
More...
nmrlearner
News from other NMR forums
0
02-22-2012 04:50 AM
[KPWU blog] water refinement in Xplor-NIH
water refinement in Xplor-NIH
Starting at Xplor-NIH 2.26 (now it’s version 2.29 on Feb. 8th, 2012), official Xplor-NIH package provides an example script doing explicit solvent refinement. The short description made by Xplor-NIH author: ============ wrefine.py: refinement with explicit solvent and full electrostatics. Includes*rdcs, noes, jcoupling terms and dihedral restraints. This is a*work-in-progress. Please compare with other protocols. In*particular, http://stats.wordpress.com/b.gif?host=kpwu.wordpress.com&blog=76132&post=636&subd=kpwu&ref=&feed=1
Go to KPWU blog to read complete...
nmrlearner
News from NMR blogs
0
02-09-2012 08:16 AM
[KPWU blog] Install Xplor-NIH 2.26 on new iMac (10.6)
Install Xplor-NIH 2.26 on new iMac (10.6)
A short note for installation of xplor-nih 2.26 on iMac. Few months ago, I downloaded XPLOR-NIH 2.26 for Mac OS and installed it on my new iMac (core i3, 3.06 GHz). The default configuration script does not include “Intel Core i3″ *in the processor list (at xplor-nih-xxx/arch/getDarwinCPU). The solution to make the configuration is to http://stats.wordpress.com/b.gif?host=kpwu.wordpress.com&blog=76132&post=234&subd=kpwu&ref=&feed=1
Go to KPWU blog to read complete post.
[Question from NMRWiki Q&A forum] How to set up RAMA database restraints for NIH-XPLOR (for peptide NMR structure calcu
How to set up RAMA database restraints for NIH-XPLOR (for peptide NMR structure calculation)?
Hello, has anyone managed to set up RAMA restraints for NIH-XPLOR? For some reason I'm always getting E(RAMA)=0.000 in the output, that is the term is registered, but the the energy is always zero.
Somehow either parameters for the interaction are assumed to be zero or there are no atoms that have those energy term... Thanks.
In my sa.inp I've got the following setup:
!(1) initial setupevaluate ($krama = 1.0) !intraresidue proteinevaluate ($kramalr = 0.15) !long range proteinevaluate...
nmrlearner
News from other NMR forums
0
11-02-2010 11:22 PM
[Question from NMRWiki Q&A forum] How to keep XPLOR structure calculation from exploding?
How to keep XPLOR structure calculation from exploding?
Trying to calculate a structure using sa.inp script and the energy in the cooling loop increases instead of going down.
In the end there is a message
****&&&& rerun job with smaller timestep (i.e., 0.003)But making the timestep smaller does not help. Could anyone suggest where to look?
edit: I've also commented out my restrains thinking that maybe my noe's are too whacky, but still structure diverges.
nmrlearner
News from other NMR forums
0
11-02-2010 11:22 PM
[Question from NMRWiki Q&A forum] How to convert Xplor distance restraint to Amber?
How to convert Xplor distance restraint to Amber?
HiI am wondering if anyone knows a way to convert Xplor distance_restraint files to Amber format (7 or 8 column).RegardsRaman
Check if somebody has answered this question on NMRWiki QA forum
nmrlearner
News from other NMR forums
0
09-25-2010 07:47 AM
Refinement against order parameter with XPLOR
New 2.10 release of XPLOR-NIH can now do a refinement against order parameters. You can get an idea what this refinement can be used for from the this paper.
Info about new features of XPLOR-NIH 2.10 from XPLOR-NIH website: - new parameter/topology file naming convention: NMR protein refinement should now use topology file protein.top and parameter file protein.par.
- new command: tclXplor which calls xplor -tcl. Can be used as command interpreter
- new potential term OrderPot to enable refinement against order parameters.
- update to PrePot from Junji Iwahara
- CSAPot: 15N CSAs...
cns1.2 vs Xplor-NIH2.26
Linear Mode
