Thank you for the hints, Pavel.
ideal O3'-C3' bond in *geo is 1.422, which interestingly matches C3*-O3* in `modules/chem_data/geostd/t/data_TD.cif`.
`elbow.where_is_that_cif_file DT` pointed me to `${CLIB}/data/monomers/d/DT.cif`, where O3'-C3' is (now, but may be not at time of *geo generation) 1.431.
How does phenix resolve which ideal values to use in the TD example?



W.

On Wed, Jan 10, 2018 at 3:47 PM, Pavel Afonine <pafonine@lbl.gov> wrote:
Hi Wolfram,

how/where (in the PHENIX installation tree?) can one look up target values (effective during restrained refinement in PHENIX) for specific bond lengths and angles of monomers like amino acids or nucleosides?

If you know three-letter code:

elbow.where_is_that_cif_file ATP

or simply look at the file content directly in

chem_data/mon_lib/
or in
chem_data/geostd

or

inspect *.geo file (always created in refinemetn) that lists all restraints used in refinement.

Pavel