a fast method of reading data from PDB files

버전 1.2.0.0 (2.39 KB) 작성자: Evan
This file is a blazingly fast method of reading PDB files
다운로드 수: 497
업데이트 날짜: 2012/6/26

라이선스 보기

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, '.');

인용 양식

Evan (2025). a fast method of reading data from PDB files (https://kr.mathworks.com/matlabcentral/fileexchange/35009-a-fast-method-of-reading-data-from-pdb-files), MATLAB Central File Exchange. 검색 날짜: .

MATLAB 릴리스 호환 정보
개발 환경: R2010a
모든 릴리스와 호환
플랫폼 호환성
Windows macOS Linux
카테고리
Help CenterMATLAB Answers에서 Chemistry에 대해 자세히 알아보기

Community Treasure Hunt

Find the treasures in MATLAB Central and discover how the community can help you!

Start Hunting!
버전 게시됨 릴리스 정보
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