User contributions
10 November 2011
How to compile PHASER to run on multiple CPUs (Linux)
Created page with "Download the latest phaser source package, e.g. from [ftp://ftp.ccp4.ac.uk/ccp4/6.2.0/ccp4-6.2.0-phaser-cctbx-src.tar.gz CCP4 ftp server]. Untar the source code (this takes awhi..."
PHASER
Created page with "Official PHASER documentation can be found on the [http://www.phaser.cimr.cam.ac.uk/ official website]. How to compile PHASER to run on multiple CPUs (Linux)"
6 October 2011
Combine multiple pdb files into NMR-style model
no edit summary
+95
Combine multiple pdb files into NMR-style model
Created page with "An example here assumes that you have 10 pdb files generated by the simulated annealing in CNS, i.e. the files are named model_anneal_1.pdb, model_anneal_2.pdb, ..., model_anneal..."
Useful scripts (aka smart piece of code)
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+54
17 February 2011
4 January 2011
16 December 2010
Split NMR-style multiple model pdb files into individual models
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-89
Calculate average I/sigma from .sca file
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+2
Print the shifts in individual atom positions
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+9
Get systematic absences from .sca file
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+2
Renumber files
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+602
15 December 2010
Split NMR-style multiple model pdb files into individual models
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+228
Split NMR-style multiple model pdb files into individual models
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+189
Split NMR-style multiple model pdb files into individual models
Bash/awk one-liner
14 December 2010
Split NMR-style multiple model pdb files into individual models
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+60
Print the shifts in individual atom positions
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+119
Useful scripts (aka smart piece of code)
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+242
Split NMR-style multiple model pdb files into individual models
no edit summary
+55
Split NMR-style multiple model pdb files into individual models
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+336
Split NMR-style multiple model pdb files into individual models
Created page with 'This assumes that you have a correctly formatted pdb file that contains both MODEL and ENDMDL records. It gets split into individual pdb files names model_###.pdb. grep -n 'MOD…'
Useful scripts (aka smart piece of code)
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+69
10 December 2010
Useful scripts (aka smart piece of code)
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+29
Renumber files
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-3
Calculate average I/sigma from .sca file
no edit summary
+55
Print the shifts in individual atom positions
no edit summary
+55
Get systematic absences from .sca file
no edit summary
+54
Renumber files
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+58
Renumber files
Created page with 'Let's say you have a list of images named something_###.img with ### spanning 381-560, and you want to renumber them to be from 1 to 180. '''echo | awk '{for(i=1;i<181;i++) prin…'
Useful scripts (aka smart piece of code)
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+21
4 November 2010
2 November 2010
Calculate average I/sigma from .sca file
Created page with 'This python script will analyze a .sca-file and print out the key statistics missing from the standard SCALEPACK log-file, namely <math><I/sigma></math> per resolution shell. Sy…'
Useful scripts (aka smart piece of code)
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-7
Useful scripts (aka smart piece of code)
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+54
14 July 2010
Morph with Chimera
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+14
Morph with Chimera
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+383
Morph with Chimera
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+286
3 July 2010
Morph with Chimera
Created page with 'Making a morph movie with UCSF Chimera is extremely easy. There are tutorials on the website [http://www.cgl.ucsf.edu/chimera/tutorials/tutorials.html], but here is an outline: …'
Morphing
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+60
Print the shifts in individual atom positions
Created page with 'This can be done with one command line (albeit a rather long one). Below is the code with (remove backslashes if pasting as a single line) grep 'ATOM\|HETATM' file1.pdb file2.p…'
Useful scripts (aka smart piece of code)
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+52
11 December 2008
Get systematic absences from .sca file
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+1
Get systematic absences from .sca file
New page: Scalepack outputs only systematic absences, and not the rest of reflections. The best way to identify screw axis is probably to look at the whole set of reflections, so that you can compa...
Useful scripts (aka smart piece of code)
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+1
Useful scripts (aka smart piece of code)
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+45
Useful scripts (aka smart piece of code)
New page: This page is a collection of scripts used to resolve variety of minor problems. Posts include brief description and the code. The list is still very short, so there is no hierarchy.
Xtal computing
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+48