Read and write coordinates in CHARMM CARD coordinate format (suffix
“crd”). The CHARMM “extended format” is handled automatically.
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class MDAnalysis.coordinates.CRD.CRDReader(crdfilename, convert_units=None, **kwargs)[source]
CRD reader that implements the standard and extended CRD coordinate formats
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Writer(filename, **kwargs)[source]
Returns a CRDWriter for filename.
Arguments : |
- filename
filename of the output CRD file
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Returns : | CRDWriter
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class MDAnalysis.coordinates.CRD.CRDWriter(filename, **kwargs)[source]
CRD writer that implements the CHARMM CRD coordinate format.
It automatically writes the CHARMM EXT extended format if there
are more than 99,999 atoms.
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write(selection, frame=None)[source]
Write selection at current trajectory frame to file.
write(selection,frame=FRAME)
selection MDAnalysis AtomGroup
frame optionally move to frame FRAME