Lines Matching refs:bond

638 #   string, point, axis-angle/plane/quaternion, atom bitset, bond bitset, 
847 #		yes		yes		bondcount	covalent bond count
891 …	valence	the valence of an atom (sum of bonds, where double bond counts as 2 and triple bond count…
1140 # new feature: CML "isotope" and CML "partial12" bond order.
1724 # bug fix: display of aromaticSingle bond for NEW bond results in dotted bond.
2065 # new feature: mol file bond type 8 as partial
2070 # bug fix: connect aromatic auto; select connected([bond type],...)
3345 # bug fix: 11.3.58 can't set bond diameters
3806 # bug fix: math operations with bond bitsets; % and + operating on arrays
4058 # new feature: valence -- sum of bond orders
4098 # new feature: adds H/Br/Cl/I/C logic to aromatic bond assignments
4099 # new feature: adds Oxygen/Sulfur logic to aromatic bond assignments
4100 # new feature: adds Nitrogen logic to aromatic bond assignments
4109 # new feature: aromaticSingle and aromaticDouble bond order options
4114 # new feature: MOL reader recognizes bond types 4,5,6,7
4118 # new feature: fully generalized bond order "partial n.m"
4121 #         00001  first line of bond dotted
4122 #         00010  second line of bond dotted
4123 #         00011  first and second line of bond dotted, etc.    
4125 # new feature: connect may use numeric bond orders, including "partial n.m"
4883 # bug fix for hydrogen bond calculation with incomplete nucleic acid definitions.
5149 # there is only one bond initially, and after applying symmetry
5220 # GhemicalMMReader -- was incorrectly assigning aromatic to bond type 4 via fall-through of switch
5447 #  x = {*}.bonds.length.max  #the longest bond length
5642 # An additional bond type is now avaiable: "UNSPECIFIED". 
5812 #  %ORDER  the bond order
5813 #  %TYPE   the bond type
5814 #  %LENGTH the bond length