diff --git a/src/setup/MolInfo.cpp b/src/setup/MolInfo.cpp index a38176ca4253885cfdfaa9f7aa36670849a6b225..88715104f80e826f91d8a11b1aa56f83bde0f7a3 100644 --- a/src/setup/MolInfo.cpp +++ b/src/setup/MolInfo.cpp @@ -62,7 +62,7 @@ For protein residues, the following groups are available: that select the appropriate atoms that define each dihedral angle for residue #. -For RNA or RNA residues, the following groups are available: +For DNA or RNA residues, the following groups are available: \verbatim # quadruplets for backbone dihedral angles @@ -86,13 +86,14 @@ For RNA or RNA residues, the following groups are available: @base-# \endverbatim -Notice that `zeta` and `epsilon` groups should not be used on 3' end and `alpha` should not be used on 5' end. +Notice that `zeta` and `epsilon` groups should not be used on 3' end residue and `alpha` and `beta` +should not be used on 5' end residue. If the chosen group name does not match any of the default ones, the parser looks for a single atom with the same name. This means that it is also possible to pick single atoms using the syntax `@atom-residue~. -\warning If a residue-chain is repeated twice only the first entry will be selected. +\warning If a residue-chain is repeated twice in the reference pdb only the first entry will be selected. \bug At the moment the HA1 atoms in a GLY residues are treated as if they are the CB atoms. This may or may not be true - GLY is problematic for secondary structure residues as it is achiral.