[Chimera-users] how can i cluster the result in .dcd file using chimera on a superomputer?
Ibrahim Mohamed
hollow_ichigo199799 at yahoo.com
Thu Jul 16 10:35:35 PDT 2020
can you provide me, if it is possible, with the script of clustering from dcd file?
i am thinking about running the script only on google colab after i upload the files (dcd and psf). Since colab has a larger RAM Maybe it will work.
بتاريخ الخميس، 16 تموز 2020 07:04:21 م غرينتش+2، Eric Pettersen <pett at cgl.ucsf.edu> كتب:
Hi Ibrahim, Sorry, but this is way too hard. That part of Chimera simply was not designed for scripting. ChimeraX is much better at allowing scripting, but it doesn't have the clustering functionality you need. --Eric
Eric Pettersen UCSF Computer Graphics Lab
On Jul 16, 2020, at 5:05 AM, Ibrahim Mohamed <hollow_ichigo199799 at yahoo.com> wrote:
Greeting sir,
i want to use chimera (V 1.14) on a super computer to cluster the results from NAMD .dcd file but i found that it can be used only through the GUI.
Is there a way to cluster the results from .dcd file using a script?
if it is possible please send me the script
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