On Tue, Jul 20, 2004 at 12:05:36AM -0500, akshay17 wrote:
> Dear Sir, I tried removing Extra lines from my .rsr file and
> still got the following error.
> ____________________________________________________________
> _ Executing Modeler
> Additional output in file angim_06.log
> and in angim_06.log.moltabfile, angim_06.log.restabfile,
> angim_06.log.viotabfile*
>
> lib-4190 : UNRECOVERABLE library error
> A numeric input field contains an invalid character.
>
> Encountered during a list-directed READ from an internal
> file (character variable)
> IOT Trap
> Abort (core dumped)
> ____________________________________________________________
> _
>
> Please advise. Shall, i write MODELLER 5 or MODELLER 6v2 in
> my .rsr file. I am attaching my .rsr file again.
The format of your restraints file is incorrect; see
http://salilab.org/modeller/manual/node98.html. The first line must read
either 'MODELLER5 VERSION: MODELLER FORMAT' or
'MODELLER5 VERSION: USER FORMAT'. There is no 'MODELLER6v2' format.
Additionally, your user format lines are incorrect - the format should
be:
Id Form Modality Feature Group Numb_atoms Numb_parameters 0 Parameters
Atom_ids
- i.e., you have your parameters and Atom_ids the wrong way round. Your
restraints file should look something like the following:
MODELLER5 VERSION: USER FORMAT
R 2 1 1 22 2 2 0 5.0 1.0 NZ:102 OD1:278
R 2 1 1 22 2 2 0 5.0 1.0 NZ:102 CZ:92
R 2 1 1 22 2 2 0 5.0 1.0 CZ:167 CG:263
R 2 1 1 22 2 2 0 5.0 1.0 NZ:199 CZ:259
R 2 1 1 22 2 2 0 5.0 1.0 OH:292 OD1:295
R 2 1 1 22 2 2 0 5.0 1.0 OH:292 OD1:111
R 2 1 1 22 2 2 0 5.0 1.0 NZ:240 OD1:237
Ben Webb, Modeller Caretaker
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