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Amber-MD / cpptraj

Biomolecular simulation trajectory/data analysis.
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Add support for .ccp4 format #190

Closed drroe closed 8 years ago

drroe commented 8 years ago

From DAC:

Hi Dan: for the "to-do" list: the grid command should support output to the .cpp4 map format, which is almost universally used in crystallography and cryo-EM work. This would save the users many headaches in file conversion.

Sander and rism both have code to read/write this format. There are probably toolkits otherplaces (e.g. cctbx).

drroe commented 8 years ago

Addressed by #241.