Re: [modeller_usage] CHARMM atom type is not recognized (not in RADII_LIB): 15.999
To: Wang Yanli <>
Subject: Re: [modeller_usage] CHARMM atom type is not recognized (not in RADII_LIB): 15.999
From: Modeller Caretaker <>
Date: Tue, 09 Sep 2008 09:57:34 -0700
Cc:
Wang Yanli wrote:
> 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?
...
> _modeller.ModellerError: read_to_231E> CHARMM atom type is not
> recognized (not in RADII_LIB): 15.999
Looks like your topology file (top_heav.lib) is invalid. The MASS lines
should contain the integer atom type, the atom name, and the mass, e.g.
MASS 15 CT3 12.011
defines the CT3 atom type, with a mass of 12.011 (carbon). Looks like
you've added a new oxygen atom type, but have missed one of these
fields, since Modeller thinks the mass is actually the atom name in the
error message.
Ben Webb, Modeller Caretaker
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