Changing the atomtype nomenclature to 4 characters has worked! Thank you !!!
On Thu, Mar 14, 2024 at 12:34 AM Modeller Caretaker < modeller-care@salilab.org> wrote:
> On 3/13/24 3:04 AM, Neeraj Kumar T . via modeller_usage wrote: > > I've been trying to add a new residue's (ligand) topology and > > parameters into modeller library to model accurately. > > In all but the most unusual of cases, it is better to treat a ligand as > a rigid body using the '.' residue type in your alignment file. It is > also substantially easier to do! > > > The above script gives error in the 5th command-line as follows: > > ------------------------------ > > *ERROR Case-1:* > > >>> env.libs.parameters.append(file='$(LIB)/radii_edited.lib') > > read_pa_233E> No keyword before contents. > > This looks like you are trying to read solv.lib and radii.lib as CHARMM > parameter files. That won't work, as these files have very different > formats. If you need to edit these, the simplest way to do it is to > directly edit the files in the Modeller distribution. > > > _modeller.ModellerError: read_to_231E> CHARMM atom type is not > > recognized (not in RADII_LIB): CG2D1O > > CHARMM atom types can be no longer than four characters. This is > mentioned in a few places, but not in the FAQ; I'll add it there. > > Ben Webb, Modeller Caretaker > -- > modeller-care@salilab.org https://salilab.org/modeller/ > Modeller mail list: https://salilab.org/mailman/listinfo/modeller_usage >