apocharmm.charmm_psf Namespace Reference

Provides the owning Python wrapper for CHARMM PSF topology. More...

Classes
class	CharmmPsf
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Detailed Description

Provides the owning Python wrapper for CHARMM PSF topology.

CharmmPsf parses one PSF file through apoCHARMM's C ABI and exposes copied per-atom metadata, topology counts, aggregate charge and mass, and the stored file path.

See also

charmm_psf