Opps sorry - that's the wrong format. Try this instead.
Paul ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
--- lib/data/monomers/list/mon_lib_list.cif-orig 2018-07-06 14:28:55.000000000 +0100 +++ lib/data/monomers/list/mon_lib_list.cif 2018-07-06 14:28:32.000000000 +0100 @@ -16785,6 +16785,7 @@ ACYSNN ACY ACYmod . SNN SNNmod . 'ACYSNN' ALASNN . ALAmod peptide SNN SNNmod . 'ALASNN' XYPa-XYP XYP XYPmod1 . XYP XYPmod2 . XYP-XYP +XYP-BMA XYP XYPmol1 . BMA DEL-HO2 . bond_XYP-C1B=_BMA-O2 TPN-TPN TPN TPNmodC . TPN TPNmodN . TPN-TPN PEP-ORN . DEL-OXT peptide ORN ORN-NE . PEP-ORN @@ -19056,6 +19057,48 @@ _chem_link_chir.volume_sign XYPa-XYP chir_08 1 C1B 2 O4B 1 C2B 1 O5B both # +data_link_XYP-BMA + +loop_ +_chem_link_bond.link_id +_chem_link_bond.atom_1_comp_id +_chem_link_bond.atom_id_1 +_chem_link_bond.atom_2_comp_id +_chem_link_bond.atom_id_2 +_chem_link_bond.type +_chem_link_bond.value_dist +_chem_link_bond.value_dist_esd + XYP-BMA 1 C1B 2 O2 single 1.426 0.020 + +loop_ +_chem_link_angle.link_id +_chem_link_angle.atom_1_comp_id +_chem_link_angle.atom_id_1 +_chem_link_angle.atom_2_comp_id +_chem_link_angle.atom_id_2 +_chem_link_angle.atom_3_comp_id +_chem_link_angle.atom_id_3 +_chem_link_angle.value_angle +_chem_link_angle.value_angle_esd + XYP-BMA 2 C2 2 O2 1 C1B 111.800 3.000 + XYP-BMA 2 O2 1 C1B 1 H1B 109.470 3.000 + XYP-BMA 2 O2 1 C1B 1 C2B 109.470 3.000 + XYP-BMA 2 O2 1 C1B 1 O5B 109.470 3.000 + +loop_ +_chem_link_chir.link_id +_chem_link_chir.id +_chem_link_chir.atom_centre_comp_id +_chem_link_chir.atom_id_centre +_chem_link_chir.atom_1_comp_id +_chem_link_chir.atom_id_1 +_chem_link_chir.atom_2_comp_id +_chem_link_chir.atom_id_2 +_chem_link_chir.atom_3_comp_id +_chem_link_chir.atom_id_3 +_chem_link_chir.volume_sign + XYP-BMA chir_08 1 C1B 2 O2 1 C2B 1 O5B both +# data_link_ZN-CYS # loop_ ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
