Hi all,
I am trying to add modified Cysteine molecules which have a Nitroxide group
attached on the Sulphur atom of the Cysteine by using the mutagenesis menu. I
have saved my modified molecule as a .pdb file however cannot work out how to
add it to the list of residues in the mutagenesis menu.
I have also tried saving the nitroxide group as a fragment as a .pkl file and
adding it into C:\Program Files\PyMOL\PyMOL\data\chempy\fragments then using
the command editor.attach_fragment('pk1','nit',11,0) where my Nitroxide group
is saved as "nit.pkl". This however is no use as instead of connecting the two
Sulphur atoms, the Sulphur on the cysteine gets connected to a methyl group on
the Nitroxide.
I am adding the Nitroxide so that I can use spin-labelling data for electron
paramagnetic resonance in a docking software package.
A resolution to this problem would be greatly appreciated ,
Thanks,
Josh
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