[Xplor-nih] HBUILD

[R. Bryn Fenwick]

Hi,

I am trying to build a pdb file of a molecule with a ligand attached. I
have made the relevant topology file but can not seem to get past the
hbuild section. I receive the below error. My ligand is named MSC. Has
anyone else received this error or know what it might pertain to / how to
cure the issue?


 HBUILD: HB2 ,HB3 ,     placed for donor      410  ASN  CB  .
 HBUILD: H   ,    ,     placed for donor      411  MSC  N   .
 %HBUILD-ERR: Geometry unknown for donor     411  MSC  CA
 %<HBUILD>-ERR: Unknown geometry for hydrogen donor.
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 BOMLEV=    0 reached.  Program execution will be terminated.
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 Subroutine DIE called . Terminating


Bryn

        ==========================================================
        R. Bryn Fenwick                Department of Biochemistry,
        rbf22 at cam.ac.uk                University of Cambridge,
        bryn.fenwick at cantab.net        80 Tennis Court Road,
        Tel: +44 1223 766018           Old Addenbrookes Site,
        Fax: +44 1223 766002           Cambridge, CB2 1GA, UK.
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