Want to select small molecules and co-factors? The atoms that aren't part of standard residues, like drugs, cholesterols, Zn atoms, and all else?
Things like this:
HETATM 2185 O6 MAN A1310 78.725 55.327 98.231 1.00 81.20 O
HETATM 2186 ZN ZN A1311 62.745 46.321 102.600 1.00 38.48 ZN
HETATM 2187 CL CL A1312 59.817 29.875 99.087 1.00 40.97 CL
HETATM 2188 CL CL A1313 41.111 19.647 77.717 1.00 38.39 CL
HETATM 2189 O HOH A2001 59.085 17.513 98.258 1.00 65.67 O
from your PDB file...
Here's how:
1 To select the HET atoms, goto Select--> Select from String.
2 Under the 'atom' field, type: lambda x: x.hetatm == 1
3 Click 'Add' and your HET atoms will be selected.
-Jon Huntoon
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