Thanks a lot ...
On Sun, Feb 18, 2018 at 9:19 PM, Justin Lemkul wrote:
>
>
> On 2/18/18 6:05 AM, Sundari wrote:
>
>> Thank You :)
>>
>> I have a little doubt now. If I want total percentage of all 8 secondary
>> structures separately i.e SS (%) than I can get this by simply averaging
>> the prop
On 2/18/18 6:05 AM, Sundari wrote:
Thank You :)
I have a little doubt now. If I want total percentage of all 8 secondary
structures separately i.e SS (%) than I can get this by simply averaging
the propensities of ss ?
No, that will give you a constant number. All residues have to be in one
Thanks for the addition.
On 16 Feb 2018 6:22 pm, "Justin Lemkul" wrote:
>
>
> On 2/16/18 3:40 AM, Subhomoi Borkotoky wrote:
>
>> Hello,
>>
>> I believe *do_dssp* will do the trick. Generate the *.xpm* matrix file ,
>> it
>> contains the required information.
>>
>
> Only indirectly, but scount.xv
Thank You :)
I have a little doubt now. If I want total percentage of all 8 secondary
structures separately i.e SS (%) than I can get this by simply averaging
the propensities of ss ?
On Fri, Feb 16, 2018 at 6:21 PM, Justin Lemkul wrote:
>
>
> On 2/16/18 3:40 AM, Subhomoi Borkotoky wrote:
>
On 2/16/18 3:40 AM, Subhomoi Borkotoky wrote:
Hello,
I believe *do_dssp* will do the trick. Generate the *.xpm* matrix file , it
contains the required information.
Only indirectly, but scount.xvg has all that is needed, the number of
residues in a given secondary structure as a function of
Hello,
I believe *do_dssp* will do the trick. Generate the *.xpm* matrix file , it
contains the required information.
Regards,
S. Borkotoky
On Fri, Feb 16, 2018 at 1:30 PM, Sundari wrote:
> Dear gromacs users,
>
> can any one please tell me that how we get the secondary structure
> propensity
Dear gromacs users,
can any one please tell me that how we get the secondary structure
propensity or secondary structure content(%) as a function of simulation
time.
I used "gmx do_dssp" but it gives me number of residues forming the
secondary structure vs simulation time. is it same thing or som