Hi, I am trying to add a nonstardard residue (DIK) to a protein. After
following Ross Walker's tutorial, I still cannot get both ends of the
residue incorporated into the protein. I wonder wether I can modify the
lib file directly without using leap. Thanks! -Eric
Part of my lib file that I suspect:
!entry.DIK.unit.childsequence single int <--- what does this mean?
2
!entry.DIK.unit.connect array int <--- this looks good to me.
43
61
Part of the final pdb file:
....
ATOM 1703 SG CYX 110 6.700 4.761 67.738 1.00 0.00
ATOM 1704 C CYX 110 7.081 3.152 64.862 1.00 0.00
ATOM 1705 O CYX 110 7.006 4.327 64.500 1.00 0.00
ATOM 1706 C01 DIK 111 -1.370 -0.959 57.237 1.00 0.00
ATOM 1707 C02 DIK 111 -0.342 -0.910 56.307 1.00 0.00
....
ATOM 1766 C61 DIK 111 4.173 1.774 63.341 1.00 0.00
ATOM 1767 O62 DIK 111 4.055 0.593 63.673 1.00 0.00
TER <---- not connected with GLN?
ATOM 1768 N GLN 112 3.125 2.584 63.198 1.00 0.00
ATOM 1769 H GLN 112 3.234 3.571 63.014 1.00 0.00
ATOM 1770 CA GLN 112 1.776 2.058 63.375 1.00 0.00
ATOM 1771 HA GLN 112 1.821 1.158 63.988 1.00 0.00
....
However in the leap.log file, there are something like this:
Joining TYR - CYX
Joining CYX - DIK
Joining DIK - GLN
Joining GLN - SER
....
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Received on Thu Jul 14 2005 - 01:53:00 PDT
