Hi,<br><br><div class="gmail_quote">On Thu, Nov 26, 2009 at 2:28 PM, Michael Banck <span dir="ltr"><<a href="mailto:mbanck@gmx.net" target="_blank">mbanck@gmx.net</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div>On Thu, Nov 26, 2009 at 07:36:53AM -0500, Roland Schulz wrote:<br>
> I just commited the Gromacs support for the VMD molfile plugin API.<br>
<br>
</div>Did you consider maybe using OpenBabel for that? Trajectory support is<br>
not very great yet, but in the long run, it might make sense to<br>
centralize file format parsing to a central location.<br></blockquote><div><br>I did not implement the trajectory parsing myself but I'm using the VMD plugins for this (in case my email wasn't clear in this point).<br>
The molfile API is meant as such a central location. And it supports all trajectory formats I know of, including the different versions of DCD. <br>The molfile API also includes a plugin which uses OpenBabel in case the builtin plugins don't support the format.<br>
</div></div><br>Roland<br clear="all"><br>-- <br>ORNL/UT Center for Molecular Biophysics <a href="http://cmb.ornl.gov" target="_blank">cmb.ornl.gov</a><br>865-241-1537, ORNL PO BOX 2008 MS6309<br>