| Dependencies | Installation | Usage

pdb2cif

A Python3 PDB to mmCIF conversion tool. Intended for internal use at Dietzlab, TUM Munich This tools enables usage of atomic coordinate files with chimera and chimeraX

Supported Sources:

• mrdna
• tacoxDNA
• SNUPI

Dependencies

• Python >= 3.8 see setup.cfg

Installation

  git clone https://github.com/elija-feigl/pdb2cif
  cd pdb2cif
  pip install .

or

  pip install git+https://github.com/elija-feigl/pdb2cif#egg=pdb2cif

Usage

pdb2cif [OPTIONS] PDB

  Generate atomic model in mmCIF format from namd PDB.
    PDB is the name of the namd configuration file [.pdb]

Options:
  -h, --help     Show this message and exit.
  -v, --version  Show __version__ and exit.
  
  --remove-H     Remove hydrogen atoms.
  --snupi        Convert from SNUPI pdb.
  --flip-fields  Flip the values of occupancy and temperature fields.