[gmx-users] Definition of helicity
Mark.Abraham at anu.edu.au
Wed Mar 9 15:08:24 CET 2011
On 10/03/2011 12:58 AM, cd231 at ipc.uni-karlsruhe.de wrote:
> Hi Justin,
> Thank you for your notice.
> I am afraid my explanation was not enough.
> When protein atoms is specified, g_helix seems to calculate the
> helicities for all residue.
> And then, the helicity value of each residues is written into
> The value probably means how much percentage of time does each residue
> form alpha-helix.
> I would like to know how does it judge the alpha-helix? What is the
If g_helix -h doesn't help you, then you'll have to read the code for
the details of what criterion it is using. Presumably src/tools/gmx_helix.c
> Quoting "Justin A. Lemkul" <jalemkul at vt.edu>:
>> cd231 at ipc.uni-karlsruhe.de wrote:
>>> Dear all,
>>> Now I am using g_helix module to calculate helicity of each residues in
>>> In the manual, there seems to be no detailed description about the
>>> definition of the helicity.
>>> Could you let me know the detail, or where should I refer to.
>> As implied by the rise and ellipticity information in the g_helix
>> it would seem that an ideal helix is an alpha helix. I doubt this
>> tool is
>> useful when analyzing single residues; the program determines the
>> continuous alpha helix and calculates properties related to it.
>> g_helix may
>> work on a single residue, but if you get output of all zeroes, don't be
>> surprised. do_dssp may also be useful.
>>> Thank you in advance,
>>> Hiroshi Watanabe
>>> Karlsruhe University
>>> E-mail: hiroshi.watanabe at chemie.uni-karlsruhe.de
>> Justin A. Lemkul
>> Ph.D. Candidate
>> ICTAS Doctoral Scholar
>> MILES-IGERT Trainee
>> Department of Biochemistry
>> Virginia Tech
>> Blacksburg, VA
>> jalemkul[at]vt.edu | (540) 231-9080
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