ToDo - Revision history

Sgfc at 19:42, 7 March 2014

2014-03-07T19:42:39Z

2010-04-29T22:24:08Z

2010-04-09T20:04:08Z

2010-04-06T19:05:40Z

2010-04-06T15:17:22Z

2010-04-06T15:16:42Z

2010-03-07T00:11:14Z

2010-03-07T00:09:44Z

2010-03-07T00:07:18Z

Created page with '* Add support for wild cards in CHARMM parameter file (used in param 19, not used in 22)'

New page

* Add support for wild cards in CHARMM parameter file (used in param 19, not used in 22)

← Older revision		Revision as of 19:42, 7 March 2014
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	* '''[[MSL_Objects:System\|System]]''': copy bonds in copy costructor		* '''[[MSL_Objects:System\|System]]''': copy bonds in copy costructor
	* '''[[MSL_Objects:PDBWriter\|PDBWriter]]''': proper support for MODELs and alt coordinates		* '''[[MSL_Objects:PDBWriter\|PDBWriter]]''': proper support for MODELs and alt coordinates
		+	* '''[[MSL_Objects:Position\|Position]]''': add support for saveAltCoor to include the current identity/conformer

← Older revision		Revision as of 22:24, 29 April 2010
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	* Create PDBToplogy object for adding residues to positions		* Create PDBToplogy object for adding residues to positions
	* '''[[MSL_Objects:System\|System]]''': copy bonds in copy costructor		* '''[[MSL_Objects:System\|System]]''': copy bonds in copy costructor
		+	* '''[[MSL_Objects:PDBWriter\|PDBWriter]]''': proper support for MODELs and alt coordinates

← Older revision		Revision as of 20:04, 9 April 2010
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	* '''[[MSL_Objects:CharmmSystemBuilder\|CharmmSystemBuilder]]''': implement removeIdentity and mutate functions		* '''[[MSL_Objects:CharmmSystemBuilder\|CharmmSystemBuilder]]''': implement removeIdentity and mutate functions
	* Create PDBToplogy object for adding residues to positions		* Create PDBToplogy object for adding residues to positions
		+	* '''[[MSL_Objects:System\|System]]''': copy bonds in copy costructor

← Older revision		Revision as of 19:05, 6 April 2010
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	* '''[[MSL_Objects:EnergySet\|EnergySet]]''': implement: 1) copy constructor; 2) void deleteInteractionsWithAtom(Atom & _a); 3) void deleteInteractionsWithAtoms(AtomPointerVector & _atomVec);		* '''[[MSL_Objects:EnergySet\|EnergySet]]''': implement: 1) copy constructor; 2) void deleteInteractionsWithAtom(Atom & _a); 3) void deleteInteractionsWithAtoms(AtomPointerVector & _atomVec);
	* '''[[MSL_Objects:CharmmSystemBuilder\|CharmmSystemBuilder]]''': implement removeIdentity and mutate functions		* '''[[MSL_Objects:CharmmSystemBuilder\|CharmmSystemBuilder]]''': implement removeIdentity and mutate functions
		+	* Create PDBToplogy object for adding residues to positions

← Older revision		Revision as of 15:17, 6 April 2010
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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
	* '''[[MSL_Objects:EnergySet\|EnergySet]]''': implement: 1) copy constructor; 2) void deleteInteractionsWithAtom(Atom & _a); 3) void deleteInteractionsWithAtoms(AtomPointerVector & _atomVec);		* '''[[MSL_Objects:EnergySet\|EnergySet]]''': implement: 1) copy constructor; 2) void deleteInteractionsWithAtom(Atom & _a); 3) void deleteInteractionsWithAtoms(AtomPointerVector & _atomVec);
		+	* '''[[MSL_Objects:CharmmSystemBuilder\|CharmmSystemBuilder]]''': implement removeIdentity and mutate functions

← Older revision		Revision as of 15:16, 6 April 2010
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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
		+	* '''[[MSL_Objects:EnergySet\|EnergySet]]''': implement: 1) copy constructor; 2) void deleteInteractionsWithAtom(Atom & _a); 3) void deleteInteractionsWithAtoms(AtomPointerVector & _atomVec);

← Older revision		Revision as of 00:11, 7 March 2010
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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)	+	* '''[[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

← Older revision		Revision as of 00:09, 7 March 2010
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−	* Add support for wild cards in CHARMM parameter file (used in param 19, not used in 22)	+	* '''[[MSL_Objects:CharmmParameterReader\|CharmmParameterReader]]''': Add support for wild cards in CHARMM parameter file (used in param 19, not used in 22)