Hi there, i have a question concerning a kind of extension, i'm considering ... I'm a PhD student using chimera for the depiction and comparison of chemical and protein structures. I'm wondering if i could implement an extension that would allow me a self-defined type of molecule model, where the atoms are replaced by self-defined centers representing specific functional groups in a molecule. Could you give me a hint, how to do that? I mean, what kind of class do i have to change in order to define such a model and to load a corresponding file type? Thanks in advance, Marco Mernberger
Hi Marco, The Chimera volume path tracer tool has some similarity to your proposed Chimera tool. It allows you to place markers on volume data and connect them up. The markers could represent molecules, domains, ... and are implemented as a Chimera molecule, so all the coloring, selecting, hiding/displaying capabilities of molecules are available to the user. The volume path tool is implemented all in Python in directory chimera/share/VolumePath Look specifically at the markerset.py file which defines classes Marker_Set, Marker, and Link that are wrappers for Chimera Molecule, Atom and Bond. Tom
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Marco Mernberger -
Thomas Goddard