[modeller_usage] Models from secondary structure and distance constraints alone?
To:
Subject: [modeller_usage] Models from secondary structure and distance constraints alone?
From: "Andrew D. Fant" <>
Date: Wed, 26 Sep 2007 07:15:06 -0400
[it appears that I accidentally sent this to the listowner rather than
the list. oops. sorry Ben]
This may seem like a rather strange question, but is it possible to get
Modeller to output a PDB structure based only on secondary structure
information and a few distance constraints (primarily dicystene
relationships). I realize that without an alignment to a known
structure, anything that is generated probably bears little resemblance
to reality, but I have a relatively short fragment that isn't
significantly related to anything in the PDB, and between the disulfide
linkages and a couple other known constraints, there aren't that many
ways that it could bend together. Basically, I'm trying to generate a
consistent structure that is in a possible conformation that doesn't
violate steric boundaries and such, without having to manually generate
the coordinates from the helix and sheet parameters. Can anyone make
any suggestions?
Thanks,
Andy