VMD-L Mailing List
From: Miller, Patrick (Patrick.Miller_at_deshaw.com)
Date: Mon Oct 09 2006 - 11:19:54 CDT
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I'm working on a trajectory file plugin and want to get access
to bond information (this file has no structure data in it).
The idea is that I would load a molecule from PDB and/or PSF
files and have the bonds computed in the normal way before reading
trajectory information. So, inside my plugin....
static int read_next_timestep(void* handle, int natoms,
molfile_timestep* info) {
...
/* How do I get the current pairlist of bonds? */
}
I want to correct raw atom positions to account for the periodic
boundary....
Thanks for any pointers,
Pat
- Next message: Jerome Henin: "Re: cutting short a DMPC bilayer in VMD"
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- Reply: Axel Kohlmeyer: "Re: Access to bond information inside a VMD plugin..."
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