.. -*- coding: utf-8 -*- .. _TXYZ-format: ======================================== TXYZ, ARC (Tinker) ======================================== .. include:: classes/TXYZ.txt 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) .. _format: http://chembytes.wikidot.com/tnk-tut00#toc2 .. _Tinker: https://dasher.wustl.edu/tinker/