On Apr 16, 2024, at 12:48 AM, Enrico Martinez <jmsstarlight@gmail.com> wrote:

ah I've just found that it could be actually specified by the  start X end Y step Z

so my question is just about the maximal number of the frames ?

Are there advantages using other formats besides netcf, like trr, dcd, xtc in terms of the performance ?

Enrico

Il giorno mar 16 apr 2024 alle ore 09:40 Enrico Martinez <jmsstarlight@gmail.com> ha scritto:

Hello Eric,

just one question. When I load a netcdf trajectory using:

open ./trajectory_part1.nc structureModel #1

Would it be possible to additionally precise the range of the loaded frames e.g. to load the first 5000 frames or in range of 500 to 5000 etc?

I also noticed that the maximal number of frames is 9999, isn't it ?

Many thanks in advance !

Enrico

Il giorno gio 11 apr 2024 alle ore 19:49 Eric Pettersen <pett@cgl.ucsf.edu> ha scritto:

Happy to help. :-)

—Eric

On Apr 11, 2024, at 12:52 AM, Enrico Martinez via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:

Thank you very much Eric !!

Il giorno mer 10 apr 2024 alle ore 18:24 Eric Pettersen <pett@cgl.ucsf.edu> ha scritto:

Hi Enrico,

Add "replace false" to the open command you use when opening the second set of coordinates and it will append those coordinate to the current ones.

--Eric

Eric Pettersen

UCSF Computer Graphics Lab

On Apr 10, 2024, at 2:34 AM, Enrico Martinez via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:

Dear Chimera-X users !

Typically having loaded pdb of the system I use the following command to load the netcdf file, which replaces current pdb with the trajectory:

open ./trajectory_part1.nc structureModel #1

would it be possible to load in the same section the second part of the same trajectory and merge the both into the same ensemble ?

E.g. if I run subsequently the same command with another trajectory, it will produce another ensemble related to the second trajectory (and not merge the both together): open ./stripped_*part2.nc structureModel #1

Many thanks in advance!

Enrico

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