TXYZ, ARC (Tinker)

Coordinate reader


Topology parser


MDAnalysis can read Tinker xyz files .txyz and trajectory .arc files.

Developer notes

Differences between Tinker format and normal xyz files:

  • there is only one header line containing both the number of atoms and a comment

  • column 1 contains atom numbers (starting from 1)

  • column 6 contains atoms types

  • the following columns indicate connectivity (atoms to which that particular atom is bonded, according to numbering in column 1)