Jmol overlay pdb full#

There are candidate fields: COMPND, TITLE, HEADER if one is missing, another could take its place. I'm not an expert on PDB format, and the structure of PDB entries is varied, so this is open to discussion and likely to need quite a parsing. Current use of the filename is redundant. Proposal: interpret the molecule name or description in the PDB file and use it similarly to what is done for MOLfiles' 1st line. Applet: shows the filename + extension as the bottommost sub-entry inside the former. Both app and applet: show the filename (without extension) as the topmost menu entry in the popup menu. Jmol app window title: shows the filename + extension, followed by a dash and (again) the filename without extension. However, currently only the filename is used: ** With PDB files, the same degree of information would be desirable. If line 1 is empty, defaults to filename. Applet: shows the filename as the bottommost sub-entry inside the former. Both app and applet: show the molecule name (line 1) as the topmost entry in the popup menu.

Jmol app window title: shows the filename + extension, followed by a dash and the contents of line 1 (which usually is the molecule name or description). Including the initial issue submission, for this request,Ī proposal to retrieve and use some molecule name from PDB files to be shown in Jmol title and menu.

Jmol overlay pdb full#

Please note that this message will contain a full copy of the comment thread, Message generated for change (Settings changed) made by hansonr Feature Requests item #1656702, was opened at 07:19