MolProbity is a powerful software program for validating structures of proteins and nucleic acids. Although MolProbity includes scripts for batch analysis of structures, because these scripts analyze structures one at a time, they are not well suited for the validation of a large dataset of structures. We have created a version of MolProbity (MolProbity-HTC) that circumvents these limitations and takes advantage of a high-throughput computing cluster by using the HTCondor software. MolProbity-HTC enables the longitudinal analysis of large sets of structures, such as those deposited in the PDB or generated through theoretical computationâ??tasks that would have been extremely time-consuming using previous versions of MolProbity. We have used MolProbity-HTC to validate the entire PDB, and have developed a new visual chart for the BioMagResBank website that enables users to easily ascertain the quality of each model in an NMR ensemble and to compare the quality of those models to the rest of the PDB.
[Question from NMRWiki Q&A forum] VNMRJ "No data in data file"
VNMRJ "No data in data file"
I'm trying to display a 3D Varian file in VNMRJ. I can see values in the fid file (using the "od" utility) and convert the file to NMRPipe format. When I try to process the file in VNMRJ I get the message "No data in data file." I'd appreciate any suggestions on how to proceed.
Check if somebody has answered this question on NMRWiki QA forum
nmrlearner
News from other NMR forums
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01-18-2011 02:44 AM
[NMR analysis blog] Mnova 6.0, at last! GSD, Line Fitting, Data Analysis, handling of LC/GC/MS data and m
Mnova 6.0, at last! GSD, Line Fitting, Data Analysis, handling of LC/GC/MS data and much more!
It's been over 6 weeks since my last post on this blog but don’t worry, I haven’t been idle. On the contrary, I have a very good excuse for this lack of posts: We all at Mestrelab have been working very hard trying to get version 6.0 of Mnova finished. Now I’m delighted to announce that we have done it and version 6.0 is finally available for download from our Web site. This is certainly a major upgrade of the software in which we have put a lot of work and passion. It brings a number of...
nmrlearner
News from NMR blogs
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08-21-2010 09:12 PM
Got bad PROCHECK Ramachandran plot? Try MolProbity
Don't get good numbers of Ramachandran plot for your protein when you use PROCHEK-NMR? This could be because PROCHEK most favored regions of Ramachandran plot are too small, not because your model is bad. Try to check your protein using MolProbity server from Richardson's lab.
MolProbity for the massesâ??of data
Linear Mode
