i have deal the protonation state problem of histidine by REDUCE software
but now when i have come across the phosphorylated residues, joining the
atoms of phosphorylated residues through the savepdb command
loadoff SEP.lib
savepdb unitname modified_pdbname.pdb
when i reload the pdb in unit editor of the xleap so all the atoms are
disconnected in the unit editor after the connection throuhgh
bondbydistance unitname
command
*Muhammad Tahir*
*Ayub*
*Junior Research Fellow*
*H.E.J Research Institute of Chemistry*
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Received on Wed Jun 17 2015 - 08:30:03 PDT
