molstar / molrender

Create macromolecular images
MIT License
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orientation change of multiple chain structures based on first chain + chain-list rendering #7

Closed MarkMa2003 closed 1 year ago

MarkMa2003 commented 1 year ago
  1. First Chain Based Re-Orientation: If there is more than one chain in the structure, the new version will use the average of position of the first chain coordinates to decide the orientation of the picture based on the rule that the average should be in the first quadrant.

  2. Chain List Rendering: the new features will render chain list in the following format molrender chain-list /path/to/5cbg.cif /path/to/out/ asmIndex chain chainName1 [operator1] chain chainName2 [operator2] ...

For example: molrender chain-list 1a6d.cif outpath 0 chain A ASM_1 chain A ASM_4 will generate: 1a6d_chain-list-assembly-1-A-ASM_1-A-ASM_4

molrender chain-list 1a6d.cif outpath 0 chain A chain B ASM_2 1a6d_chain-list-assembly-1-A-B-ASM_2

molrender chain-list 1a6d.cif outpath 0 chain B ASM_1 chain B ASM_3 chain A ASM_6 chain A ASM_4 chain A ASM_7 1a6d_chain-list-assembly-1-B-ASM_1-B-ASM_3-A-ASM_6-A-ASM_4-A-ASM_7