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Martin Kurečka
Plumed AlphaFold
Commits
7299aff5
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7299aff5
authored
7 years ago
by
carlocamilloni
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src/setup/MolInfo.cpp
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7299aff5
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@@ -51,7 +51,7 @@ historical reasons and to allow future extensions where alternative lists will b
As of now, you can just ignore this keyoword.
Using MOLINFO with a protein's or nucleic acid's pdb extends the possibility of atoms selection using the @ special
symbol in the form
symbol in the form
\verbatim
@"definition"-chainresiduenum
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@@ -59,7 +59,7 @@ symbol in the form
\endverbatim
So for example
\verbatim
@psi-1 will select the atoms defining the psi torsion of residue 1
@psi-C1 will define the same torsion for residue 1 of chain C.
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