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[modeller_usage] HIS and HSE

I would like to calculate an all atoms (including hydrogens) model of a metallo protein containing zinc. In particular, I would like to bind Zn2+ ion to ND1 atom of an histidine residues. I try to replace the residue "H" with "6" in the alignment (I referred to restyp.lib library found in modlib directory) but I obtain the following error in the log file.

getpdf__392E> Your library requires all bins zero; nbinx:        5

can you help me?



Francesco Musiani
Laboratory of Bioinorganic Chemistry
Department of Agro-Environmental Science and Technology
University of Bologna
Viale Giuseppe Fanin, 40
I-40127 Bologna, Italy
Phone: +39-051-2096236 - Fax: +39-051-2096203 E-mail: