Difference between revisions of "ToDo"

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* '''[[MSL_Objects:CharmmParameterReader|CharmmParameterReader]]''': Add support for wild cards in CHARMM parameter file (used in param 19, not used in 22). Documentation at http://www.charmm.org/html/documentation/c32b2/miscom.html
 
* '''[[MSL_Objects:CharmmParameterReader|CharmmParameterReader]]''': Add support for wild cards in CHARMM parameter file (used in param 19, not used in 22). Documentation at http://www.charmm.org/html/documentation/c32b2/miscom.html
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* '''[[MSL_Objects:EnergySet|EnergySet]]''': implement: 1) copy constructor; 2) void deleteInteractionsWithAtom(Atom & _a); 3) void deleteInteractionsWithAtoms(AtomPointerVector & _atomVec);
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* '''[[MSL_Objects:CharmmSystemBuilder|CharmmSystemBuilder]]''': implement removeIdentity and mutate functions
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* Create PDBToplogy object for adding residues to positions
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* '''[[MSL_Objects:System|System]]''': copy bonds in copy costructor
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* '''[[MSL_Objects:PDBWriter|PDBWriter]]''': proper support for MODELs and alt coordinates
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* '''[[MSL_Objects:Position|Position]]''': add support for saveAltCoor to include the current identity/conformer

Latest revision as of 19:42, 7 March 2014