Hi Enrico,

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

Glad you found it.

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

As far as I know there is no limit to the number of trajectory frames.  What leads you to believe the limit is 9999?

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

I do not know.

—Eric

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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