Jmol/Storymorph: Difference between revisions
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There are two helper functions to speed up the process of finding matching atoms. | There are two helper functions to speed up the process of finding matching atoms. | ||
The function matched_residues() walks through the two structures residue by residue, checking whether there are the same number of atoms. The function has two parameters, sel1 and sel2, representing the two selections. You can | The function matched_residues() walks through the two structures residue by residue, checking whether there are the same number of atoms. The function has two parameters, sel1 and sel2, representing the two selections. You can specify the selections directly, as in: | ||
<nowiki>matched_residues({:A},{:B})</nowiki> | <nowiki>matched_residues({:A},{:B})</nowiki> | ||
which would check which residues in chain A and chain B match. In the output, "all" means that there are the same number of atoms, and "some" means that the residue number exists in both selections, but has a different number of atoms. To explore why, you can limit the selection to mainchain or alpha, or exclude alternate conformations ("not *.%B"). | which would check which residues in chain A and chain B match. In the output, "all" means that there are the same number of atoms, and "some" means that the residue number exists in both selections, but has a different number of atoms. To explore why, you can limit the selection to mainchain or alpha, or exclude alternate conformations ("not *.%B"). | ||