a fast method of reading data from PDB files

版本 1.2.0.0 (2.4 KB) 作者: Evan
This file is a blazingly fast method of reading PDB files
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更新时间 2012/6/26

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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. Commenting one line that converts 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, '.');

引用格式

Evan (2024). a fast method of reading data from PDB files (https://www.mathworks.com/matlabcentral/fileexchange/35009-a-fast-method-of-reading-data-from-pdb-files), MATLAB Central File Exchange. 检索来源 .

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版本 已发布 发行说明
1.2.0.0

very small and silly tweak to make it read a wider variety of files
1.1.0.0

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)
1.0.0.0