[modeller_usage] CHARMM atom type is not recognized (not in RADII_LIB): 15.999

9 Sep 2008


      Hi, Modeller
When I add the ligand (Allosamidin) as new residue type.  I use insightII to
generate the rtf file, ad add information in *.lib files.
But I still get bellow error. How can I do?
Thanks!
env.libs.topology.read(file='$(LIB)/top_heav.lib')
  File "/home/ylwang/bin/modeller9v4/modlib/modeller/topology.py", line 23,
in read
    return self.append(file)
  File "/home/ylwang/bin/modeller9v4/modlib/modeller/topology.py", line 27,
in append
    return _modeller.mod_topology_read(self._modpt, self.__libs.modpt, file)
_modeller.ModellerError: read_to_231E> CHARMM atom type is not recognized
(not in RADII_LIB):  15.999

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[modeller_usage] CHARMM atom type is not recognized (not in RADII_LIB): 15.999