CYANA Command: grid memory - Revision history

Masayo: /* Description */

2009-08-12T11:46:00Z

Description

← Older revision		Revision as of 13:46, 12 August 2009
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	Controls the storage of allowed dihedral angle values that have been determined by grid searches. These are stored in grid memories that provide for each dihedral angle in the molecule (not only in the current fragment) a fine grid with a spacing of 2° to store the allowed dihedral angle values.		Controls the storage of allowed dihedral angle values that have been determined by grid searches. These are stored in grid memories that provide for each dihedral angle in the molecule (not only in the current fragment) a fine grid with a spacing of 2° to store the allowed dihedral angle values.
	The standard grid memory, '''A''', is used by the '''grid search''' and '''grid aco''' commands. Additional grid memories with user-defined names are initialized when they are first used in one of the following ''grid memory expressions'':		The standard grid memory, '''A''', is used by the [[CYANA Commands: grid search\|'''grid search''']] and [[CYANA Commands: grid aco\|'''grid aco''']] commands. Additional grid memories with user-defined names are initialized when they are first used in one of the following ''grid memory expressions'':


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	Grid memory expressions must not contain blanks.<br>		Grid memory expressions must not contain blanks.<br>
	The operation will be applied to all torsion angles that match the ''selection''. By default, the operation is performed for all angles in the fragment defined by the most recent '''grid fragment''' command. If the command is used without any parameters, then the names of all occupied grid memories are printed.		The operation will be applied to all torsion angles that match the ''selection''. By default, the operation is performed for all angles in the fragment defined by the most recent [[CYANA Commands: grid fragment\|'''grid fragment''']] command. If the command is used without any parameters, then the names of all occupied grid memories are printed.

Masayo: /* Description */

2009-08-12T08:06:30Z

Description

← Older revision		Revision as of 10:06, 12 August 2009
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	''a''=.true. initialize grid memory ''a''; all angle values allowed		''a''=.'''true'''. initialize grid memory ''a''; all angle values allowed
	''a''=.false. initialize grid memory ''a''; all angle values forbidden		''a''=.'''false'''. initialize grid memory ''a''; all angle values forbidden
	''a''=.not.''b'' not ''b''		''a''=.'''not'''.''b'' not ''b''
	''a''=''b''.and.''c'' intersection of ''b'' and ''c''		''a''=''b''.'''and'''.''c'' intersection of ''b'' and ''c''
	''a''=''b''.or.''c'' union of ''b'' and ''c''		''a''=''b''.'''or'''.''c'' union of ''b'' and ''c''
	''a'' list contents of grid memory ''a''		''a'' list contents of grid memory ''a''
	''a''= remove grid memory ''a''		''a''= remove grid memory ''a''

Masayo: /* Description */

2009-08-07T11:49:40Z

Description

← Older revision		Revision as of 13:49, 7 August 2009
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	''a''= remove grid memory ''a''		''a''= remove grid memory ''a''

	Grid memory expressions must not contain blanks.		Grid memory expressions must not contain blanks.<br>
	The operation will be applied to all torsion angles that match the ''selection''. By default, the operation is performed for all angles in the fragment defined by the most recent '''grid fragment''' command. If the command is used without any parameters, then the names of all occupied grid memories are printed.		The operation will be applied to all torsion angles that match the ''selection''. By default, the operation is performed for all angles in the fragment defined by the most recent '''grid fragment''' command. If the command is used without any parameters, then the names of all occupied grid memories are printed.

Masayo: /* Description */

2009-08-07T11:48:42Z

Description

← Older revision		Revision as of 13:48, 7 August 2009
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	== Description ==		== Description ==

	~~This command handles~~ the storage of allowed dihedral angle values		Controls the storage of allowed dihedral angle values that have been determined by grid searches. These are stored in grid memories that provide for each dihedral angle in the molecule (not only in the current fragment) a fine grid with a spacing of 2° to store the allowed dihedral angle values.
	that have been determined by grid searches. These are stored in		The standard grid memory, '''A''', is used by the '''grid search''' and '''grid aco''' commands. Additional grid memories with user-defined names are initialized when they are first used in one of the following ''grid memory expressions'':
	grid memories that provide for each dihedral angle in the molecule
	(not only in the current fragment) a fine grid with a spacing of 2
	~~degrees~~ to store the allowed dihedral angle values.

	~~The standard grid memory, A, is used by the '''grid search''' and '''grid~~
	~~aco''' commands. Additional grid memories with user-defined names are~~
	~~initialized when they are first used in one of the following grid~~
	~~memory expressions:~~

	a=.true. initialize grid memory a; all angle values allowed		''a''=.true. initialize grid memory ''a''; all angle values allowed
	a=.false. initialize grid memory a; all angle values forbidden		''a''=.false. initialize grid memory ''a''; all angle values forbidden
	a=.not.b not b		''a''=.not.''b'' not ''b''
	a=b.and.c intersection of b and c		''a''=''b''.and.''c'' intersection of ''b'' and ''c''
	a=b.or.c union of b and c		''a''=''b''.or.''c'' union of ''b'' and ''c''
	a list contents of grid memory a		''a'' list contents of grid memory ''a''
	a= remove grid memory a		''a''= remove grid memory ''a''

	Grid memory expressions must not contain blanks.		Grid memory expressions must not contain blanks.
			The operation will be applied to all torsion angles that match the ''selection''. By default, the operation is performed for all angles in the fragment defined by the most recent '''grid fragment''' command. If the command is used without any parameters, then the names of all occupied grid memories are printed.
	~~If the '''selection''' parameter is specified, the~~ operation will be
	applied to all torsion angles that match the ''~~string~~''. By default,
	the operation is performed for all angles in the fragment defined by
	the most recent '''grid fragment''' command.

	If the command is used without any parameters, the names of all
	occupied grid memories are printed.

Admin: 1 revision

2009-01-29T11:26:55Z

1 revision

New page

== Parameters ==

; ''parameters''
; selection=''string'': (default: ''none'')

== Description ==

This command handles the storage of allowed dihedral angle values
that have been determined by grid searches. These are stored in
grid memories that provide for each dihedral angle in the molecule
(not only in the current fragment) a fine grid with a spacing of 2
degrees to store the allowed dihedral angle values.

The standard grid memory, A, is used by the '''grid search''' and '''grid
aco''' commands. Additional grid memories with user-defined names are
initialized when they are first used in one of the following grid
memory expressions:

a=.true. initialize grid memory a; all angle values allowed
a=.false. initialize grid memory a; all angle values forbidden
a=.not.b not b
a=b.and.c intersection of b and c
a=b.or.c union of b and c
a list contents of grid memory a
a= remove grid memory a

Grid memory expressions must not contain blanks.

If the '''selection''' parameter is specified, the operation will be
applied to all torsion angles that match the ''string''. By default,
the operation is performed for all angles in the fragment defined by
the most recent '''grid fragment''' command.

If the command is used without any parameters, the names of all
occupied grid memories are printed.