DMS (Desmond Molecular Structure files)

Coordinate reader


Topology parser


The DESRES Molecular Structure (DMS) file is an SQLite-format database for storing coordinate and topology information. See the Desmond Users Guide (chapter 6 and chapter 17) for more information.


Atom ids

Unlike most other file formats, Desmond starts atom numbers at 0. This means the first atom in a DMS file will have an of 0. However, residues are not necessarily numbered from 0. Residue.resid numbering can start from 1.