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RMF trajectories are slow to read in Chimera, and RMF support is unlikely to be added to ChimeraX unless we really really push for it. We can't reasonably use mmCIF files to look at trajectories (since it's a text file, they'd be enormous and probably even slower to use). There are however a number of established formats for MD trajectories, which Chimera has good support for. Since many of these (like DCD) are basically just binary dumps of the coordinates, they are compact and very fast. They are, however, designed for atoms having 3D (xyz) coordinates.
Investigate whether we can adapt a format like DCD to store coordinates of our coarse-grained models (potentially including non-Cartesian data like Bayesian nuisances). This could be used in concert with an mmCIF file (or modified PSF file) to efficiently display trajectories in ChimeraX.
The text was updated successfully, but these errors were encountered:
In an effort to make IMP trajectories available in a
more or less standard binary trajectory format (other than
our own RMF format) add a script to convert the multi-model
PDB trajectories stored here into CHARMM/NAMD DCD files.
Relates salilab/imp#964.
benmwebb
added a commit
to integrativemodeling/nup84
that referenced
this issue
May 19, 2017
In an effort to make IMP trajectories available in a
more or less standard binary trajectory format (other than
our own RMF format) add a script to convert the multi-model
PDB trajectories stored here into CHARMM/NAMD DCD files.
Relates salilab/imp#964.
benmwebb
added a commit
to integrativemodeling/mediator
that referenced
this issue
May 22, 2017
In an effort to make IMP trajectories available in a
more or less standard binary trajectory format (other than
our own RMF format) add a script to convert the set of RMF
files (output from PMI's clustering) stored here into
CHARMM/NAMD DCD files. Relates salilab/imp#964.
benmwebb
added a commit
to integrativemodeling/exosome
that referenced
this issue
May 22, 2017
In an effort to make IMP trajectories available in a
more or less standard binary trajectory format (other than
our own RMF format) add a script to convert the set of RMF
files (output from PMI's clustering) stored here into
CHARMM/NAMD DCD files. Relates salilab/imp#964.
RMF trajectories are slow to read in Chimera, and RMF support is unlikely to be added to ChimeraX unless we really really push for it. We can't reasonably use mmCIF files to look at trajectories (since it's a text file, they'd be enormous and probably even slower to use). There are however a number of established formats for MD trajectories, which Chimera has good support for. Since many of these (like DCD) are basically just binary dumps of the coordinates, they are compact and very fast. They are, however, designed for atoms having 3D (xyz) coordinates.
Investigate whether we can adapt a format like DCD to store coordinates of our coarse-grained models (potentially including non-Cartesian data like Bayesian nuisances). This could be used in concert with an mmCIF file (or modified PSF file) to efficiently display trajectories in ChimeraX.
The text was updated successfully, but these errors were encountered: