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