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a fast method of reading data from PDB files

by Evan

 

09 Feb 2012 (Updated 18 May 2012)

This file is a blazingly fast method of reading PDB files

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Description

This is the fastest way I know to read in a PDB. Strings are conveniently stored as cell variables, and numbers are stored as matrices. Unfortunately there is no faster way that I am aware of to convert text to numbers, so there is an upper limit in matlab for reading a PDB.

To speed up the program, comment out any lines for data not being used. Removing one line that outputs numeric data speeds the program up by roughly 7-8%.

example usage : this plots the atoms of 3IJU.pdb

atoms = fastPDBRead('3IJU.pdb')
plot3(atoms.X, atoms.Y, atoms.Z, '.');

MATLAB release MATLAB 7.10 (2010a)
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Updates
18 May 2012

I revised the previous version so that it reads any atomtype for any file, and it reads the comment section at the end of each line (in charmm this is the chain name, in Avogadro this is the element symbol, and so on)

Tag Activity for this File
Tag Applied By Date/Time
biotech Evan 09 Feb 2012 14:12:48
pdb Evan 09 Feb 2012 14:12:49
protein data bank Evan 09 Feb 2012 14:12:49
pharmaceutical Evan 09 Feb 2012 14:12:49
bioinformatics Evan 09 Feb 2012 14:12:49
rscb Evan 09 Feb 2012 14:12:49

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