[gmx-developers] reading non-gromacs trajectory formats and adding of default extension
mbanck at gmx.net
Thu Nov 26 20:28:03 CET 2009
On Thu, Nov 26, 2009 at 07:36:53AM -0500, Roland Schulz wrote:
> I just commited the Gromacs support for the VMD molfile plugin API.
Did you consider maybe using OpenBabel for that? Trajectory support is
not very great yet, but in the long run, it might make sense to
centralize file format parsing to a central location.
However, it has to be said that OpenBabel is licensed under the GPL v2
only, so a pontential relicense of Gromacs to GPL v3 (I didn't follow
whether this is on the table) would be problematic. That said, the
specific trajectory format code could be licensed GPL v2 and later and
would be reusable.
More information about the gromacs.org_gmx-developers