%Tc@s`dZddlmZyddlmZWnek r=nXdZedZedZdS(sHAdd minimization restraint using Phenix pucker-specific restraint valuesi(tadd_extra_bond_restraint(tadd_extra_angle_restraintg?c Csg} g} |d.k rr|dkr^| j|dddddg|dddddggnF|d kr| j|dddd dg|dddd dggn| j|d|d |d ddg|d|d |dddg|d|d |dddg|d|d|d ddgg|d.k rr| j|d|d |dddg|d|d |dddggqrn|dkr| j||ddddg||ddddg|dddddg|dddddg|dddddg|dddddg|dddddg|dddddg|dddddg|dddddg|ddd ddg|dddd dg|dddd!dgg n-|d kr| j||ddd"dg||ddd#dg|dddd$dg|dddd%dg|dddd dg|dddd dg|dddd&dg|dddd'dg|dddd(dg|dddd)dg|ddd d*dg|dddd+dg|dddd,dgg n|d.k r| j|d|d |d ddg|d|d |dddg|d|d |dddg|d|d|d ddgg| r| dkr| j|ddd ddgq| d kr| j|ddd d*dgqqnxc| D][} | \}}}}}}t|||d-|d-||d-|d-||d-|d-|tqWxi| D]a} | \}}}}}}}}t|||d-|d-||d-|d-||d-|d-|tq&Wd.S(/sSet angle restraints on the specified nucleotides to match the Phenix pucker-specific restraints ARGUMENTS: molNum - the molecule number chain - the chain prevPrevResNum - the residue number of residue i-2 prevResNum - the residue number of the previous residue (using Coot numbering) curResNum - the residue number of the current residue (using Coot numbering) nextResNum - the residue number of the next residue (using Coot numbering) glycosidicBaseAtom - the name of the base nitrogen atom (N1 or N9) for the current residue prevPucker - the pucker of the previous residue (as an int: 2 or 3) curPucker - the pucker of the current residue (as an int: 2 or 3) nextPucker - the pucker of the previous residue (as an int: 2 or 3) OPTIONAL ARGUMENTS: restrainNextRes - whether we should add restraints for atoms of the next residue (other than the phosphate, which is always restrained) Defaults to False RETURNS: None NOTES: Note that restraints that are the same for C2'-endo and C3'-endo nucleotides are added in calcCoords.__setTorsionRestraints is C2's C3's O3'g`[@g?s C4'gY[@igl\@g@\@s P s O5'gVY@s OP1g[@s OP2g ^@s C1's O4'g [@g\@g33333sZ@g`Y@s C5'g\@gfffffZ@gfffffF[@gl[@g[@s O2'g33333[@gfffff\@g [@g\@gfffffZ@g33333SY@g]@gZ@g33333s[@gy[@g[@g[@g̬[@tN(tNonetextendtappendRtPHENIX_ANGLE_SD(tmolNumtchaintprevPrevResNumt prevResNumt curResNumt nextResNumtglycosidicBaseAtomt prevPuckert curPuckert nextPuckertrestrainNextRest restraintListtlinkRestraintListt curRestrainttresNumtatom1tatom2tatom3tmeantsdtresNum1tresNum2tresNum3((s^/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/rcrane/phenixRestraints.pytsetAngleRestraints$s   !" !(   !" " (  c Cslg} g} |d"k r|dkrC| j|ddddgn+|dkrn| j|ddddgn| j|d|dd dgn|dkr`| j|d d d dg|d dd dg|ddddg|ddddg|ddddg|ddddg|dd ddg|ddddg|d dddg||d ddgg n|dkr0| j|d d ddg|d dddg|ddddg|ddddg|ddddg|ddddg|dd ddg|ddddg|d dddg||d d dgg n|d"k r| j|d|dd dg| r|dkr| j|ddddgq|dkr| j|ddddgqqnxQ| D]I} | \} }}}}t||| d!|d!|| d!|d!|| qWxT| D]L} | \}}}}}}t|||d!|d!||d!|d!|| qWd"S(#sFSet angle restraints on the specified nucleotides to match the Phenix pucker-specific restraints ARGUMENTS: molNum - the molecule number chain - the chain prevResNum - the residue number of the previous residue (using Coot numbering) curResNum - the residue number of the current residue (using Coot numbering) nextResNum - the residue number of the next residue (using Coot numbering) glycosidicBaseAtom - the name of the base nitrogen atom (N1 or N9) for the current residue prevPucker - the pucker of the previous residue (as an int: 2 or 3) curPucker - the pucker of the current residue (as an int: 2 or 3) nextPucker - the pucker of the previous residue (as an int: 2 or 3) OPTIONAL ARGUMENTS: restrainNextRes - whether we should add restraints for atoms of the next residue (other than the phosphate, which is always restrained) Defaults to False RETURNS: None is C3's O3'gE?gQ?igy&1?s P gʡE?s C1's C2'g"~j?gffffff?s C4'g;On?s C5'g/$?s O4'g$C?gp= ף?s O5'gbX9?s O2'gd;O?gq= ףp?gX9v?g|?5^?gtV?gT㥛 ?gK7?gQ?g?RN(RRRR(RRR R R R RRRRRRRRRRRRRR((s^/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/rcrane/phenixRestraints.pytsetBondRestraintss^   "     %  N( t__doc__tcootRRt ImportErrorRtFalseRR(((s^/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/rcrane/phenixRestraints.pyts  l