[gmx-users] Initial Conformation Generation
A.Kukol at warwick.ac.uk
Fri Oct 1 15:14:50 CEST 2004
>>> gauravp at che.iitb.ac.in 01/10/2004 12:26:16 >>>
This query is not directly related to Gromacs but is being posted here
because it is in a related area.
I'll be very grateful if somebody can please let me know of a good
software (URL etc.) which can generate initial random structures from a
given amino acid sequence based on secondary structure predictions i.e.
helices and sheets should appear in the initial structures which can then
be subject to MD and other analysis.
A (free) software for initial structure generation is Biomer or B:
You can add residue after residue with specified secondary structure by a mouseclick, which might be tedious for a long sequence. Structure editors of commercial software like Hyperchem or Quanta do a similar job.
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