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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> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
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--
:-) Lachele
Lachele Foley
CCRC/UGA
Athens, GA USA
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Received on Fri May 15 2020 - 20:30:02 PDT
