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chemfiles / chemfiles

Library for reading and writing chemistry files
http://chemfiles.org
BSD 3-Clause "New" or "Revised" License
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PDB format #3

Closed Luthaf closed 8 years ago

Luthaf commented 9 years ago
File Type text
Topological information Yes
Positions Yes
Velocities ???

Reference: ftp://ftp.wwpdb.org/pub/pdb/doc/format_descriptions/Format_v33_A4.pdf

Luthaf commented 9 years ago

A basic implentation is here through molfile-based readers. A better implementation (with write capacities and non-constant atom number) is still needed.

Luthaf commented 8 years ago

Fixed in f4d2b8652e913d6f6bd37476ead5a3157fb0a103 and bd377da720aea7cb5b0017e837fbcd8573ff7af8