User:Wayne Decatur/1cts to 2cts (citrate synthase) morph methods: Difference between revisions
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Related to this work, it was suggested a morph like this one keep citrate in all the models (frames) since it is bound at both open and closed state. Because the morph server drops out heteroatoms, adding citrate to each frame, especially each monomer of the dimer, is not trivial and so I hadn't done. However, if I determine what residues are closest to citrate at each state and use the compare command focused only on those residues to match the open form to the first few frames of the morph and the same with the closed form for the last few frames. I should be able to save a file with the adjust coordinates and move citrate into the full morph of the appropriate frame. I would need to do a pass for each monomer. This should work better than just calculating a linear interpolation for each atom with the distance moved along a straight line divided among the number of frames currently in the aimation (using Python) of the citrate atoms between the open and closed form as there may be some twisting and rotating of the citrate along the way that the straight line calculation for each atom wold not accommodate. | |||
