Unsolved

I have been trying to insert residues into a PDB and then relaxing with Rosetta using rosettascripts. Currenlty I have managed a way to replace specified residues with another direct subsitution, but can;t figure out how to directly add more residues. I'm attempting another method by manually adding "dummy" residues into the pdb and then having rosetta replace those with the desired reisdue.  Would it be something accomplished using a resfile instead of a Rosettascripts function?

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Hi there,

An attempt to compile rosetta using a later version of gcc (8.5.0) failed during compilation.(Your compiler does not have full support for C++ll regex, and therefore can't suport RegEx_based_CDR_Detector/antitody grafting. | RosettaCommons)

I've done some ligand docking using cognate ligands, so used the starting coordinates of the input sdf file.  I now want to dock some analogues and want to use the same starting coordinates.  Is there a way to find what coordinates were used for the initial docking?

Thanks

Is RosettaDock able to perform small molecule docking to protein? I have a PDB file containing a small molecule with the exepcted 'HETATM' record and containing the protein chains I'd like to dock it to labeled with the expected 'ATOM' record. It looks like RosettaDock-4.0 doesn't recognize HETATM records as selectable chains to perform docking with. 

Thanks,

Dustin