[gmx-users] problem in editing .eps file of hbond
erik.marklund at chem.ox.ac.uk
Mon Mar 14 10:59:33 CET 2016
No. You need to post-process the xpm/ndx yourself.
> On 13 Mar 2016, at 08:58, Shahid Nayeem <msnayeem at gmail.com> wrote:
> Is it really possible in g_hbond to get hbmap.xpm for plotting only those
> hydrogen bonds between chain A and chain B of protein which has %age
> existence greater than say 80%.
> On Sat, Mar 12, 2016 at 10:25 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
>> On 3/12/16 5:44 AM, tasneem kausar wrote:
>>> Dear all
>>> I have plotted the hydrogen bonds present at the interface of protein in
>>> its binary complex. I have already written the index file for the
>>> residues then used it for hydrogen bond calculation. There are a number of
>>> bonds at the interface. I am trying to put a cut off of 50 % for existence
>>> of hydrogen bonds in the whole trajectroy. So I want to remove the rest of
>>> hydrogen bonds of interface residues whose existence is less than 50% .
>>> this purpose how should I edit the .eps file. Because there are a lot of
>>> data written and I am not able to understand the data that are given for x
>>> and y axis.
>>> Please solve the Issue
>> An .eps file is an image; I wouldn't advise trying to mess with its
>> contents to get the information you want. Everything you need should
>> already be in the normal text output from hbond, most directly the
>> hbmap.xpm file itself. Parse that information to get what you want.
>> Justin A. Lemkul, Ph.D.
>> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>> Department of Pharmaceutical Sciences
>> School of Pharmacy
>> Health Sciences Facility II, Room 629
>> University of Maryland, Baltimore
>> 20 Penn St.
>> Baltimore, MD 21201
>> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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