BioNMR
NMR aggregator & online community since 2003
BioNMR    
Learn or help to learn NMR - get free NMR books!
 

Ask NMR questions! Earn NMR points Redeem NMR points Vote for the best NMR papers Follow us on Twitter Ask to aggregate a site  Join our Linkedin group
Go Back   BioNMR > Software > General
Script for impatient: get models from NMR ensemble Script for impatient: get models from NMR ensemble
Advanced Search
Home Forums Wiki NMR feeds Downloads Register Search Today's Posts Mark Forums Read




Jobs Groups Conferences Literature Pulse sequences Software Sample preps Web resources BioNMR issues


Reply
View First Unread View First Unread  
Thread Tools Search this Thread Rate Thread Display Modes
  #1  
Unread 09-08-2005, 09:55 AM
nmrlearner's Avatar
Senior Member
  
Join Date: Jan 2005
Posts: 9,406
Points: 2,232, Level: 28
Points: 2,232, Level: 28 Points: 2,232, Level: 28 Points: 2,232, Level: 28
Level up: 55%, 68 Points needed
Level up: 55% Level up: 55% Level up: 55%
Activity: 99.9%
Activity: 99.9% Activity: 99.9% Activity: 99.9%
Last Achievements
Award-Showcase
NMR Credits: 0
NMR Points: 2,232
Downloads: 0
Uploads: 0
Default
Python script for Linux to extract models from an NMR ensemble




Download

USAGE:

python PDB_model_extractor_1b.py -f name_of_pdb_file -m numbers_of_models

EXAMPLE:

Command

python PDB_model_extractor_1b.py -f 1FAF.pdb -m 5 10


will extract models 5 and 10 from file 1FAF.pdb and create files 1FAF.pdb_5 and 1FAF.pdb_10
Reply With Quote

Did you find this post helpful? Yes | No
Reply
Similar Threads
Thread Thread Starter Forum Replies Last Post
[NMRpipe Yahoo group] Re: Error in script
Re: Error in script oo! There are more than a few problems in the script. For one thing, it seems that many lines have a backslash "\" character at the end when they shouldn't, More... 		NMRpipe Yahoo group news News from other NMR forums 0 05-27-2011 10:40 AM
[NMRpipe Yahoo group] Re: Error in script
Re: Error in script Is it possible that your first fid terminated prematurely and is not the same size as you expected it to be? Were you able to process your data files More... 		NMRpipe Yahoo group news News from other NMR forums 0 05-27-2011 10:40 AM
[NMRpipe Yahoo group] Error in script
Error in script This is the script I have used to process relaxation data in the past. However I am now getting an error. Can anyone help me figure out where the error in my More... 		NMRpipe Yahoo group news News from other NMR forums 0 05-16-2011 08:22 AM
[NMRpipe Yahoo group] Error in script
Error in script This is the script I have used to process relaxation data in the past. However I am now getting an error. Can anyone help me figure out where the error in my More... 		NMRpipe Yahoo group news News from other NMR forums 0 04-12-2011 01:07 AM
[NMR Sparky Yahoo group] Re: error reading post script file from sparky
Re: error reading post script file from sparky Mehul, I've encountered a similar problem when trying to read Sparky generated PostScript files in Inkscape. Here is the workaround I've used: 1. Use "ps2pdf" More... 		nmrlearner News from other NMR forums 0 10-06-2010 02:23 PM
[NMR Sparky Yahoo group] error reading post script file from sparky
error reading post script file from sparky Hi Everyone, *** I am trying to print a post script file from sparky using the 'pt' accelerator followed by the save button. It is making a post script file More... 		nmrlearner News from other NMR forums 0 10-06-2010 02:23 PM
CNS SA script to to use with RECOORD water refine.
The following script for CNS simulated annealing was submitted by trent. He recommends to use this script as a part of RECOORD structure determination and water refinement protocol to prevent wrong geometry of aromatic rings (as reported here and here). You may find this script useful if you have a ligand in your model that makes CNS go crazy and produce protein structures with collapsed aromatic rings. Thanks trent! Mark ******************************************************************* remarks file sa_cns.inp 		nmrlearner NMR structure calculation 0 08-15-2005 01:51 AM
Script to obtain order parameters from a structure
A Python script for prediction of order paramter from a structure is available from this website. The script is based on the following paper F. Zhang and R. Brüschweiler (2002) "Contact Model for the Prediction of NMR N-H Order Parameters in Globular Proteins" J. Am. Chem. Soc. 124(43), 12654-12655. 		nmrlearner NMR dynamics 0 05-07-2005 09:21 AM


« Previous Thread | Next Thread »
Thread Tools Search this Thread
Search this Thread:

Advanced Search
Display Modes Rate This Thread
Linear Mode Linear Mode
Rate This Thread:

Posting Rules
You may not post new threads
You may not post replies
You may not post attachments
You may not edit your posts
BB code is On
Smilies are On
[IMG] code is On
HTML code is On
Trackbacks are Off
Pingbacks are Off
Refbacks are Off

BioNMR RSS Feeds - FAQ - Members - Terms of Service - Privacy Statement - Site Map - Top

Powered by vBulletin® Version 3.7.3
Copyright ©2000 - 2012, Jelsoft Enterprises Ltd.
vBCredits II Deluxe v1.2.0 Copyright © 2010 DragonByte Technologies
Copyright, BioNMR.com, 2003-2010
Search Engine Friendly URLs by vBSEO 3.6.0

All times are GMT. The time now is 07:42 AM.