Form#

MolSysMT is built on a form-agnostic architecture capable of ingesting, querying, and converting between dozens of data representations—including native memory containers, third-party library classes, disk file formats, and in-memory text representations.


Form Categories#

Category

Description

Class Forms

In-memory object classes from MolSysMT and external libraries

File Forms

On-disk file formats (PDB, H5MSM, GRO, CIF, XTC, DCD, etc.)

String Forms

In-memory string forms (PDB text, sequences, SMILES, IDs)


Form Operations#

Operation

Description

Get attributes

Querying full attribute dictionaries for forms

Has attribute

Checking specific attribute availability in forms

Is item

Validating if an object is an instanced item of any form

Is file

Checking if an item or form names an on-disk file

Is string

Checking if an item or form names an in-memory string

Close

Closing open file handlers and streams for resource forms