DG Cartesian coordinate file - Revision history

Guentert at 11:22, 14 August 2009

2009-08-14T11:22:11Z

← Older revision		Revision as of 13:22, 14 August 2009
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	Cartesian coordinate files in DG format ~~are~~ used by CYANA for the input		Cartesian coordinate files in DG format can be used by CYANA for the input
	and output of ~~conformations~~. The format of the data lines is:		and output of structures. The format of the data lines is:
	(6X,A5,I6,1X,A5,3F11.4) corresponding to the atom name, the residue		(6X,A5,I6,1X,A5,3F11.4) corresponding to the atom name, the residue
	number and name, and the x-, y- and z-coordinates of the atom. For		number and name, and the x-, y- and z-coordinates of the atom. For

Donata at 08:34, 22 July 2009

2009-07-22T08:34:42Z

← Older revision		Revision as of 10:34, 22 July 2009
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	and output of conformations. The format of the data lines is:		and output of conformations. The format of the data lines is:
	(6X,A5,I6,1X,A5,3F11.4) corresponding to the atom name, the residue		(6X,A5,I6,1X,A5,3F11.4) corresponding to the atom name, the residue
	number and name, and the x-, y- and z-coordinates of the atom in . For		number and name, and the x-, y- and z-coordinates of the atom. For
	compatibility with other programs, the first three lines are always comment		compatibility with other programs, the first three lines are always comment
	lines even if they do not start with “#”; further comment lines are		lines even if they do not start with “#”; further comment lines are
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	by the covalent connectivities, in this case the format is		by the covalent connectivities, in this case the format is
	(6X,A5,I6,1X,A5,3F11.4,4I6).		(6X,A5,I6,1X,A5,3F11.4,4I6).

	On input Cartesian coordinates are only used to calculate all dihedral angles;		On input Cartesian coordinates are only used to calculate all dihedral angles;
	the structure will be rebuilt in CYANA according to the standard geometry obtained from the residue library file. Therefore, conformations		the structure will be rebuilt in CYANA according to the standard geometry obtained from the residue library file. Therefore, conformations

Masayo at 16:20, 19 July 2009

2009-07-19T16:20:55Z

← Older revision		Revision as of 18:20, 19 July 2009
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	in the sequence input file.		in the sequence input file.

	Structures from CYANA		# Structures from CYANA
	CYANA 2.2.5, 05-02-2007		# CYANA 2.2.5, 05-02-2007
	Number of residues: 228 Number of atoms: 3524 Number of subunits: 2		# Number of residues: 228 Number of atoms: 3524 Number of subunits: 2
	1 N 1 GLY 1.3249 0.0000 0.0000		1 N 1 GLY 1.3249 0.0000 0.0000
	2 H 1 GLY 1.8841 0.0000 0.8290		2 H 1 GLY 1.8841 0.0000 0.8290

Masayo at 13:05, 15 July 2009

2009-07-15T13:05:14Z

← Older revision		Revision as of 15:05, 15 July 2009
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			Cartesian coordinate files in DG format are used by CYANA for the input
			and output of conformations. The format of the data lines is:
			(6X,A5,I6,1X,A5,3F11.4) corresponding to the atom name, the residue
			number and name, and the x-, y- and z-coordinates of the atom in . For
			compatibility with other programs, the first three lines are always comment
			lines even if they do not start with “#”; further comment lines are
			not allowed. Optionally, the Cartesian atomic coordinates may be followed
			by the covalent connectivities, in this case the format is
			(6X,A5,I6,1X,A5,3F11.4,4I6).
			On input Cartesian coordinates are only used to calculate all dihedral angles;
			the structure will be rebuilt in CYANA according to the standard geometry obtained from the residue library file. Therefore, conformations
			may be significantly changed if the Cartesian coordinates do not imply
			exactly the bond lengths, bond angles and chiralities of the standard geometry!
			The same applies for Cartesian coordinates where the dihedral
			angle of the peptide bonds are not exactly in the or conformation as defined
			in the sequence input file.

	Structures from CYANA		Structures from CYANA
	CYANA 2.2.5, 05-02-2007		CYANA 2.2.5, 05-02-2007

Masayo: Created page with ' Structures from CYANA CYANA 2.2.5, 05-02-2007 Number of residues: 228 Number of atoms: 3524 Number of subunits: 2 1 N 1 GLY 1.3249 0.0000 0.…'

2009-07-15T11:20:51Z

Created page with ' Structures from CYANA CYANA 2.2.5, 05-02-2007 Number of residues: 228 Number of atoms: 3524 Number of subunits: 2 1 N 1 GLY 1.3249 0.0000 0.…'

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