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5.1. Coordinate/Trajectory Readers and Writers — MDAnalysis.coordinates

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5.3. DCD trajectory I/O — MDAnalysis.coordinates.DCD

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5.2. CRD structure files in MDAnalysis — MDAnalysis.coordinates.CRD

Read and write coordinates in CHARMM CARD coordinate format (suffix “crd”). The CHARMM “extended format” is handled automatically.

class MDAnalysis.coordinates.CRD.CRDReader(crdfilename, convert_units=None, **kwargs)[source]

CRD reader that implements the standard and extended CRD coordinate formats

Writer(filename, **kwargs)[source]

Returns a CRDWriter for filename.

Arguments :
filename

filename of the output CRD file

Returns :

CRDWriter

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.

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