Dear Amber users,
I am trying to build a combinatorial library of several organic
derivatives build from diferent structural moieties.
In the attached example, the final compound is formed by IZ9-RT1-DEA and
in this compound an H is missing because will bind covalently to some
enzyme.
My question is why when I write the PDB file of the whole compound from
its lib file, tleap include a TER record in between IZ9 and RT1 ?
Why not two TER records ? one in between IZ9-RT1 and the other in between
RT1-DEA, or why not any TER records ?
Files are attached.
I am making something wrong, all suggestions are very wellcome !
Greetring
Hector.
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Dr. Hector A. Baldoni
Area de Quimica General e Inorganica
Universidad Nacional de San Luis
Chacabuco 917 (D5700BWS)
San Luis - Argentina
hbaldoni at unsl dot edu dot ar
Tel.:+54-(0)266-4520300 ext. 6157
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Received on Thu Mar 26 2015 - 17:30:02 PDT
