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p link: set phosphate bond angle sigmas to 1.5 #68

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Merged
keitaroyam merged 1 commit into from
Mar 24, 2026
Merged

p link: set phosphate bond angle sigmas to 1.5 #68

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10 changes: 5 additions & 5 deletions links_and_mods.cif
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Original file line number Diff line number Diff line change
Expand Up @@ -1016,9 +1016,9 @@ _chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
p 1 "C3'" 1 "O3'" 2 P 121.082 1.50
p 2 OP1 2 P 1 "O3'" 109.493 3.00
p 2 OP2 2 P 1 "O3'" 109.493 3.00
p 2 "O5'" 2 P 1 "O3'" 100.661 3.00
p 2 OP1 2 P 1 "O3'" 109.493 1.50
p 2 OP2 2 P 1 "O3'" 109.493 1.50
p 2 "O5'" 2 P 1 "O3'" 100.661 1.50

loop_
_chem_link_tor.link_id
Expand Down Expand Up @@ -6743,8 +6743,8 @@ DEL_OP3 delete OP3 P OP1 . .
DEL_OP3 delete OP3 P OP2 . .
DEL_OP3 delete OP3 P "O5'" . .
DEL_OP3 change OP1 P OP2 118.304 1.50
DEL_OP3 change OP1 P "O5'" 108.008 3.00
DEL_OP3 change OP2 P "O5'" 108.008 3.00
DEL_OP3 change OP1 P "O5'" 108.008 1.50
DEL_OP3 change OP2 P "O5'" 108.008 1.50

loop_
_chem_mod_tor.mod_id
Expand Down
10 changes: 5 additions & 5 deletions list/mon_lib_list.cif
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Original file line number Diff line number Diff line change
Expand Up @@ -37357,9 +37357,9 @@ _chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
p 1 "C3'" 1 "O3'" 2 P 121.082 1.50
p 2 OP1 2 P 1 "O3'" 109.493 3.00
p 2 OP2 2 P 1 "O3'" 109.493 3.00
p 2 "O5'" 2 P 1 "O3'" 100.661 3.00
p 2 OP1 2 P 1 "O3'" 109.493 1.50
p 2 OP2 2 P 1 "O3'" 109.493 1.50
p 2 "O5'" 2 P 1 "O3'" 100.661 1.50

loop_
_chem_link_tor.link_id
Expand Down Expand Up @@ -43084,8 +43084,8 @@ DEL_OP3 delete OP3 P OP1 . .
DEL_OP3 delete OP3 P OP2 . .
DEL_OP3 delete OP3 P "O5'" . .
DEL_OP3 change OP1 P OP2 118.304 1.50
DEL_OP3 change OP1 P "O5'" 108.008 3.00
DEL_OP3 change OP2 P "O5'" 108.008 3.00
DEL_OP3 change OP1 P "O5'" 108.008 1.50
DEL_OP3 change OP2 P "O5'" 108.008 1.50

loop_
_chem_mod_tor.mod_id
Expand Down