Re: [AMBER] cellulose chain

From: Pinky Mazumder <pmazumder67.gmail.com>
Date: Fri, 15 May 2020 22:51:30 -0500

Thank you so much for your cordial response.


But, I can show the two chains together using vmd. I can copying the chain
because the numbers of atoms are increasing.


However, I am not able to see the two chains together.


Could you please help me in this regard?


Thank you again.

Sincerely,

On Fri, May 15, 2020 at 10:09 PM Lachele Foley <lf.list.gmail.com> wrote:

> First, you need to know the geometric relationships between the
> chains. The relationships will differ based on the source of the
> cellulose.
>
> In leap, you can use:
>
> chain2 = copy chain1
>
> to make a copy of a chain.
>
> Then, once you know the relative geometries, you can use translate
> and/or transform to position the chains properly with respect to each
> other.
>
> Alternatively, find an experimentally-determined structure, such as an
> X-ray or cryo-EM structure.
>
> Also consider contacting Dr. Jodi Hadden. She can probably help you,
> but she's pretty busy with other stuff, so you might have to be
> patient.
>
> On Fri, May 15, 2020 at 1:01 PM Pinky Mazumder <pmazumder67.gmail.com>
> wrote:
> >
> > Hi David,
> >
> >
> > Thank you for your response.
> >
> >
> >
> > I have been able to make the polymer of cellulose. But I need multiple
> > chains together.
> >
> >
> > Could you please suggest how can I replicate the same polymer chain or
> can
> > I build the multiple number of polymer chain together?
> >
> >
> > Is there any specific tutorial or command that I need to follow?
> >
> >
> > Thank you.
> >
> >
> > Kind regards,
> >
> > Pinky
> >
> > On Sun, Apr 5, 2020, 12:20 PM David A Case <david.case.rutgers.edu>
> wrote:
> >
> > > On Thu, Apr 02, 2020, Pinky Mazumder wrote:
> > > >
> > > >I want to build a chain of cellulose. So when I am trying to do this
> by
> > > >using foo sequence command.
> > > >
> > > > It says that '' Error : sequence : ILLEGAL UNIT named Glc''.
> > >
> > > Are you inside tleap at this point? If so, execute the "list" command,
> > > and see if Glc is one of the units listed. If not, you would need to
> > > somehow load the units you want.
> > >
> > > Carbohydrates are discussed in Chap. 3 of the Amber Reference Manual:
> > > you might see if that would help.
> > >
> > > If this is not a tleap error, then please give more details about
> > > exactly what you mean by "using foo sequence command".
> > >
> > > ...thx...dac
> > >
> > >
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>
>
>
> --
> :-) Lachele
> Lachele Foley
> CCRC/UGA
> Athens, GA USA
>
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>


-- 
Pinky, Sharmi
AL,US
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Received on Fri May 15 2020 - 21:00:01 PDT
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