Download Latest Version Version 0.8.0.zip (4.1 MB)
Email in envelope

Get an email when there's a new version of chemfiles

Home / 0.2.0
Name Modified Size InfoDownloads / Week
Parent folder
README.md 2015-05-31 391 Bytes
0
Version 0.2.tar.gz 2015-05-31 240.4 kB
0
Version 0.2.zip 2015-05-31 307.4 kB
0
Totals: 3 Items   548.2 kB 0
  • Add basic geometrical operations on vectors and implement basic periodic boundaries condition with the UnitCell::wrap function;
  • Use VMD molfile plugins as a format provider to read trajectories. The following formats are added through Molfile:
    • PDB;
    • Gromacs gro;
    • Gromacs xtc;
    • Gromacs trj;
    • Gromacs trr;
    • CHARMM dcd;
  • Implement bonds detection
Source: README.md, updated 2015-05-31