[gmx-users] antiparallel beta sheet

2014-03-03 Thread Nidhi Katyal
Dear users,

I would like to analyse the time variation of antiparallel beta sheet
formation. I am aware that dssp and stride program can calculate the beta
sheet content but is there a tool that can distinguish between antiparallel
and parallel beta sheet (in terms of giving numeric value as output and not
through visual inspection)?

Thanks in advance.
Nidhi
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Re: [gmx-users] antiparallel beta sheet

2014-03-03 Thread Justin Lemkul



On 3/3/14, 2:02 PM, Nidhi Katyal wrote:

Dear users,

I would like to analyse the time variation of antiparallel beta sheet
formation. I am aware that dssp and stride program can calculate the beta
sheet content but is there a tool that can distinguish between antiparallel
and parallel beta sheet (in terms of giving numeric value as output and not
through visual inspection)?



You can define an order parameter between 0 and 1 to discriminate between the 
two.  It is fairly common in simulation literature of amyloids.


-Justin

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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalem...@outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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