>
> !entry.DIK.unit.childsequence single int <--- what does this mean?
> 2
'single' means single value, vs. 'array'. 'int' means it's an integer.
> !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?
Correct.
> 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
> ...
Sounds like a bug if you only have 1 DIK residue. Did you define
connect0, connect1 and head, tail for DIK? Possibly the TER is
put there if the bond isn't between connect1 of DIK and connect0
of GLN.
Bill
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Received on Thu Jul 14 2005 - 20:53:01 PDT
