Way to make phenix.superpose_maps fix all the atoms of one PDB?

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Way to make phenix.superpose_maps fix all the atoms of one PDB? #449

Open jadeshi opened 4 years ago

jadeshi commented 4 years ago

Hi, I'm trying to align a pair of pdb/mtz files using the phenix.superpose_maps function and I was wondering if there was a way to fix the positions of one structure, and fit the second onto the original coordinates of the first. From the documentation, it seems like there's a "selection fixed" field for this purpose, but I'm not sure of the syntax to fix atoms specifically from one PDB. Any help would be greatly appreciated! Thanks.

bkpoon commented 4 years ago

Sorry for the delay! The Phenix bulletin board would generally be a better place to ask Phenix questions. But to answer your question, the first PDB file that you provide on the command-line is the fixed file. The second PDB file that you provide would be superposed on top of the first file, so you do not need to provide a selection. In the Phenix GUI, "PDB file 1" would be the fixed file.