KasperBuskPedersen

Which DSSP version does martinize2 expect for -dssp [executable] flag

5

Hi I have problems with the -dssp flag and cannot get it to work properly. I have tried two dssp versions 4.0 and 2.0.4. Both fail because of formatting in...

Enhancement: Leave structural ions in file

6

Dear Martinize2 devs Structural ions are quite common, however martinize2 currently deletes all ions from the input pdb so the user need to add them back in. A nice quality...

Nan coordinates of mutated residues

1

call: martinize2 -f 6OR3_open_wt.pdb -x 6OR3_open_hybrid_CG.pdb -o 6OR3_open_hybrid.top -cys auto -scfix -mutate GLU87:THR -mutate GLY91:LEU -mutate ASN92:ASP -mutate PHE95:TYR -mutate ASP96:THR -mutate LEU97:PRO -mutate LYS98:GLN result in 6OR3_open_hybrid_CG.pdb: .... ATOM...

Glycosylation

1

Dear martinize2 developers With your excellent sugar paper out, is glycosylation of proteins (and the topology construction of these in martinize2) in the horizon? Best regards Kasper

Development suggestion: Option to choose histidine tautomers/charge

1

Hi First of all, thank you for developing this amazing tool. Would it be possible to implement an option to choose (either interactively or specifying in a file) histidine tautomers...