Morphs: Difference between revisions
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===Modeling Intermediate Key Frames=== | ===Modeling Intermediate Key Frames=== | ||
In some cases where very large domain movements occur, or where the authors are proposing the trajectory that actually occurs, it is necessary to model intermediates in which portions of the molecule are positioned by hand. Interpolations are then typically calculated between the initial empirical conformation and the first key frame, between intermediate key frames, and finally between the last key frame and the final empirical conformation. Examples of such morphs are those by Karsten Theis, Craig Martin, and Peng Gong concerning T7 RNA polymerase, and inhibition of trypsin by serpin<ref | In some cases where very large domain movements occur, or where the authors are proposing the trajectory that actually occurs, it is necessary to model intermediates in which portions of the molecule are positioned by hand. Interpolations are then typically calculated between the initial empirical conformation and the first key frame, between intermediate key frames, and finally between the last key frame and the final empirical conformation. Examples of such morphs are those by Karsten Theis, Craig Martin, and Peng Gong concerning T7 RNA polymerase, and inhibition of trypsin by serpin<ref>PMID:15461442</ref>. | ||
===Chemically Possible Intermediates=== | ===Chemically Possible Intermediates=== | ||
