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