Hi,
Please check the residue name for your structure, and check the equivalent
name in the GLYCAM atom name list.
For example, for residue name "4GA" check the legal atom names.
Regards
*Elvis Martis* PhD Student, Bombay College of Pharmacy
[image: photo] Email: elvis_bcp.elvismartis.in <elvis_bcp.elvismartis.in>
Website: http://www.elvismartis.in <http://www.elvismartis.in/>
group website: http://www.profeccoutinho.net.in/
Address: Kalina, Santa Cruz [E]
Alt. e-mail: elvis.martis.bcp.edu.in
<
https://in.linkedin.com/in/elvisadrianmartis>
Encrypted E-mail: elvismartis.protonmail.ch
On 21 October 2016 at 19:56, Imma Speciale <i.spec88.gmail.com> wrote:
> Dear all,
>
> I have builded an olygosaccharide with GLYCAM-Web in order to open it with
> Xleap, because this program generates a file pdb that Xleap usually open.
> In my case, this is not true.
>
> I have added in the file pdb the flag TER, to indicate the branching and I
> have opened it in Xleap after loading *leaprc.GLYCAM_06h*, but the program
> closes abnormally and in the terminal results the following message:
>
> ------------------------------------------------------------
> ---------------------------------------------------------------------
>
> !FATAL ERROR----------------------------------------
>
> !FATAL: In file [chirality.c], line 142
>
> !FATAL: Message: Atom named CH3 from MEX did not match !
>
> !
>
> !ABORTING.
>
> ------------------------------------------------------------
> --------------------------------------------------------------------
>
> Thus I have loaded another library *leaprc.**GLYCAM_06j-1 *(the same
> library used by GLYCAM-WEB to generate the oligosaccharide), but the result
> is the same!!
>
> Xleap doesn't recognize the flag MEX.
>
> Does anyone know how to fix this?
>
> Thank you
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Oct 21 2016 - 08:00:02 PDT
