Extract multiple selective frames from a dcd trajectory file

[Nelson]

I would like to extract specific frames of a trajectory and write them into a pdb file separately. Can I get any possible inputs in this regard?

[Xinqiu Yao]

Basically, what you need is to play with the write.pdb() function, which allows you to give a new coordinate set xyz to override the default one in the pdb object. For example, write.pdb(pdb, xyz=traj[100,], file=”XXX.pdb”), where 100 is the 100th frame. You can use a loop to write multiple frames. Check ?write.pdb for more detail.

I also suggest going through bio3d tutorials, http://thegrantlab.org/bio3d/, which should be more helpful for getting ideas.

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Hope it helps.

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