STARch PPM input format

CAMRA software generates PPM files. See CAMRA documentation for description of the format.

Shift values 999.99 and -999.99 (more accurately, those matching regular expression [-]?9{3,}\.9{2,}) are considered invalid.

Example

!Sequence: AD
1:ALA_1:N           ***.**
1:ALA_1:C           174.00
1:ALA_1:CA           51.90
1:ALA_1:CB           18.80 
1:ALA_1:HN          999.99
1:ALA_1:HA            4.15
1:ALA_1:HB#           1.57
1:ASP_2:N           120.50
1:ASP_2:C           175.80
1:ASP_2:CA           54.70
1:ASP_2:CB           41.20 
1:ASP_2:HN         -999.99
1:ASP_2:HA            4.67
1:ASP_2:HB1           2.72
1:ASP_2:HB2           2.60
1:ASP_2:CG           **.**
1:ASP_2:HD2           *.**
STARch output (with residue type set to other): 
loop_
	_Atom_shift_assign_ID
	_Residue_seq_code
	_Residue_label
	_Atom_name
	_Atom_type
	_Chem_shift_value
	_Chem_shift_value_error
	_Chem_shift_ambiguity_code

1	1	ALA	C	.	174.00	.	.
2	1	ALA	CA	.	51.90	.	.
3	1	ALA	CB	.	18.80	.	.
4	1	ALA	HA	.	4.15	.	.
5	1	ALA	HB#	.	1.57	.	.
6	2	ASP	N	.	120.50	.	.
7	2	ASP	C	.	175.80	.	.
8	2	ASP	CA	.	54.70	.	.
9	2	ASP	CB	.	41.20	.	.
10	2	ASP	HA	.	4.67	.	.
11	2	ASP	HB1	.	2.72	.	.
12	2	ASP	HB2	.	2.60	.	.
stop_
ERR:1:1:?:Invalid value ***.**
ERR:5:1:?:Invalid value 999.99
ERR:12:2:?:Invalid value -999.99
ERR:16:2:?:Invalid value **.**
STARch output (with residue type set to 20 common amino acids): 
loop_
	_Atom_shift_assign_ID
	_Residue_seq_code
	_Residue_label
	_Atom_name
	_Atom_type
	_Chem_shift_value
	_Chem_shift_value_error
	_Chem_shift_ambiguity_code

1	1	ALA	H	H	.	.	.
2	1	ALA	N	N	.	.	.
3	1	ALA	CA	C	51.90	.	.
4	1	ALA	HA	H	4.15	.	.
5	1	ALA	C	C	174.00	.	.
6	1	ALA	CB	C	18.80	.	.
7	1	ALA	HB	H	.	.	.
8	1	ALA	HB#	.	1.57	.	.	#  Invalid atom
9	2	ASP	H	H	.	.	.
10	2	ASP	N	N	120.50	.	.
11	2	ASP	CA	C	54.70	.	.
12	2	ASP	HA	H	4.67	.	.
13	2	ASP	C	C	175.80	.	.
14	2	ASP	CB	C	41.20	.	.
15	2	ASP	HB2	H	2.60	.	.
16	2	ASP	HB3	H	.	.	.
17	2	ASP	CG	C	.	.	.
18	2	ASP	HD2	H	.	.	.
19	2	ASP	HB1	.	2.72	.	.	#  Invalid atom
stop_
ERR:1:1:?:Invalid value ***.**
ERR:5:1:?:Invalid value 999.99
ERR:12:2:?:Invalid value -999.99
ERR:16:2:?:Invalid value **.**

Last updated: Thu 26 Aug 2004 03:28:52 PM CDT