phenix refine geometry restraints
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Hi, I was trying to restrain the N-CA-C angle to 110.0 I updated the .def file as follows: angle { action = *add atom_selection_1 = name N atom_selection_2 = name CA atom_selection_3 = name C angle_ideal = 110.0 sigma = 2 I got the following: Sorry: More than one atom selected: "name N" Number of selected atoms: 86 I tried using N in quotes and it doesn't work either but the example in the website had this(below), what am I doing wrong? resname ALA and (name ca or name c or name n or name o) Thank you
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Hi George, perhaps there are several instances of atom name N in your model. You need to be more specific, for example: chain A and resseq 123 and name N This selects atom N in residue number 123 in chain A. If there are alternative conformation, you need to be even more specific: chain A and resseq 123 and name N and altloc B Pavel
Hi,
I was trying to restrain the N-CA-C angle to 110.0
I updated the .def file as follows:
angle { action = *add atom_selection_1 = name N atom_selection_2 = name CA atom_selection_3 = name C angle_ideal = 110.0 sigma = 2
I got the following: Sorry: More than one atom selected: "name N" Number of selected atoms: 86
I tried using N in quotes and it doesn't work either but the example in the website had this(below), what am I doing wrong? resname ALA and (name ca or name c or name n or name o) Thank you
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participants (2)
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George Devaniranjan
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Pavel Afonine