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uMOL-MolecularPDB

A module for reading and writing PDB files. read() will return a PDB object which can be converted to a MolecularSystem object by obtain(obj, :molecular_system). save() write a PDB object to a file on disk. There are two flavors of PDB supported: RCSB and PDB. Two abstract types RCSB and PDB are defined which can be used as the first argument for save() and read() to signify which PDB file format.

Supported PDB flavors

  • RCSB
  • VMD

Dependencies

  • MolecularDataType (a uMOL subproject)

Usage

import MolecularPDB: read, save, RCSB, VMD

obj_alice = read(RCSB, "my_rcsb.pdb", "alice")
obj_bob = read(VMD, "my_vmd.pdb", "bob")
save(RCSB, "new_rcsb.pdb", obj_alice)
save(VMD, "new_rcsb.pdb", obj_bob)

Note

  • AUTHOR: YUHANG(STEVEN) WANG
  • PROJECT INITIATION DATE: 02-21-2016
  • LICENSE: MPL 2.0 (see LICENSE.md)

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A Julia module that provides reader/writer for PDB files.

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