Alex Perálvarez Marín
aperalvarez at gmail.com
Tue Jan 12 11:55:01 PST 2010
Thanks for the info.
2010/1/12 Eric Pettersen <pett at cgl.ucsf.edu>:
> Hi Alex,
> As Elaine noted, we only currently support the .trr coordinate files. I
> have opened a feature-request ticket in our Trac database for xtc support so
> that you will be notified if I ever have time to implement xtc support.
> Unfortunately I get very little time to work on MD features for Chimera
> since we simply do not prioritize it since the feeling is that VMD
> concentrates on such support and it is a better use of our developer time to
> work on novel features in other problem domains rather than to duplicate
> features of VMD.
> Also, Gromacs formats are typically much harder to add than other formats
> since they are not documented well enough to implement without actually
> reading through the relevant Gromacs source code. I know that the .trr
> format was a bear and took me about 3 days to implement (most formats are
> about a half day). Looking at the .xtc documentation it also looks like a
> lot of work due to the extensive use of coding tricks to reduce the file
> size as much as possible.
> I'm sorry that I don't have a more encouraging answer for you.
> Eric Pettersen
> UCSF Computer Graphics Lab
> On Jan 11, 2010, at 2:59 PM, Alex Perálvarez Marín wrote:
> I have the output files for an MD movie from Gromacs, an xtc and a tpr
> file. When trying to build the movie, Chimera ask for a tpr and trr
> files for the Gromacs input. I try anyway with my files but naturally
> Chimera crashes. Any help for this? Thank you in advance.
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> Chimera-users at cgl.ucsf.edu
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