dcdReader

Classes

class dcdReader.DCDReader

This class allow user to import a DCD file and provides methods to extract the trajectory.

Data can be obtained by using standard __getitem__ method, that is by calling dcdData[:,:,:] where the first slice corresponds to atoms, the second one to the frames, and the last one to x, y and z coordinates.

appendDCD(dcdFile)

Method to append trajectory data to the existing loaded data.

Parameters:dcdFile – a single .dcd trajectory file

importDCDFile(dcdFile)

Imports a new file and store the result in dcdData attribute.

If something already exists in dcdData attribute, it will be deleted.