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
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Received on Fri Oct 21 2016 - 07:30:06 PDT
