On 28/09/10 10:22, Wim Vranken wrote:
> Hi Justin,
>
>> although it will be outdated, many tools still want nmrstar-2.1 file
>> formats. Can you include either a conversion in the formatConvertor or
>> in the ECI?
>
> In the FC you can write out (partial) 2.1 project files from Export-
> >NmrStar. This includes molecular system, chemical shifts, the most
> important saveframes at least.
>
> The only supported full project NMR-STAR export is 3.1.
>
> Wim
Thanks Wim for your answer. But formatConvertor does not export all
things you say. The CS are missing.
justin
--
Justin Lecher
Institute for Neuroscience and Biophysics
ISB 3 - Institute for Structural Biochemistry
Research Centre Juelich
52425 Juelich, Germany
phone: +49 2461 61 2117
data_/mnt/tmpfs/asd
#
# This NMR-STAR file was created by the CcpNmr FormatConverter software
# developed by the PDBe group at the European Bioinformatics Institute (EBI).
# See http://www.ccpn.ac.uk/ or http://www.ebi.ac.uk/pdbe/docs/NMR/main.html
# for more information on this software and the CCPN project.
#
save_global_MR_file_characteristics
_File_characteristics.Sf_category file_characteristics
save_
save_assembly_FOO
_Assembly.Sf_category assembly
_Assembly.ID 1
_Assembly.Name FOO
loop_
_Entity_assembly.Assembly_ID
_Entity_assembly.ID
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
1 1 1 $molecule_1
stop_
save_
save_molecule_1
_Entity.Sf_category entity
_Entity.ID 1
_Entity.Type polymer
_Entity.Pol_type polypeptide(L)
_Entity.Seq_length 142
_Entity.Seq AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
loop_
_Entity_comp_index.Entity_ID
_Entity_comp_index.Num
_Entity_comp_index.Comp_ID
1 1 ALA
1 2 ALA
1 3 ALA
1 4 ALA
1 5 ALA
1 6 ALA
1 7 ALA
1 8 ALA
1 9 ALA
1 10 ALA
1 11 ALA
1 12 ALA
1 13 ALA
1 14 ALA
1 15 ALA
1 16 ALA
1 17 ALA
1 18 ALA
1 19 ALA
1 20 ALA
1 21 ALA
1 22 ALA
1 23 ALA
1 24 ALA
1 25 ALA
1 26 ALA
1 27 ALA
1 28 ALA
1 29 ALA
1 30 ALA
1 31 ALA
1 32 ALA
1 33 ALA
1 34 ALA
1 35 ALA
1 36 ALA
1 37 ALA
1 38 ALA
1 39 ALA
1 40 ALA
1 41 ALA
1 42 ALA
1 43 ALA
1 44 ALA
1 45 ALA
1 46 ALA
1 47 ALA
1 48 ALA
1 49 ALA
1 50 ALA
1 51 ALA
1 52 ALA
1 53 ALA
1 54 ALA
1 55 ALA
1 56 ALA
1 57 ALA
1 58 ALA
1 59 ALA
1 60 ALA
1 61 ALA
1 62 ALA
1 63 ALA
1 64 ALA
1 65 ALA
1 66 ALA
1 67 ALA
1 68 ALA
1 69 ALA
1 70 ALA
1 71 ALA
1 72 ALA
1 73 ALA
1 74 ALA
1 75 ALA
1 76 ALA
1 77 ALA
1 78 ALA
1 79 ALA
1 80 ALA
1 81 ALA
1 82 ALA
1 83 ALA
1 84 ALA
1 85 ALA
1 86 ALA
1 87 ALA
1 88 ALA
1 89 ALA
1 90 ALA
1 91 ALA
1 92 ALA
1 93 ALA
1 94 ALA
1 95 ALA
1 96 ALA
1 97 ALA
1 98 ALA
1 99 ALA
1 100 ALA
1 101 ALA
1 102 ALA
1 103 ALA
1 104 ALA
1 105 ALA
1 106 ALA
1 107 ALA
1 108 ALA
1 109 ALA
1 110 ALA
1 111 ALA
1 112 ALA
1 113 ALA
1 114 ALA
1 115 ALA
1 116 ALA
1 117 ALA
1 118 ALA
1 119 ALA
1 120 ALA
1 121 ALA
1 122 ALA
1 123 ALA
1 124 ALA
1 125 ALA
1 126 ALA
1 127 ALA
1 128 ALA
1 129 ALA
1 130 ALA
1 131 ALA
1 132 ALA
1 133 ALA
1 134 ALA
1 135 ALA
1 136 ALA
1 137 ALA
1 138 ALA
1 139 ALA
1 140 ALA
1 141 ALA
1 142 ALA
stop_
loop_
_Entity_poly_seq.Entity_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_num
_Entity_poly_seq.Mon_ID
1 1 1 ALA
1 2 2 ALA
1 3 3 ALA
1 4 4 ALA
1 5 5 ALA
1 6 6 ALA
1 7 7 ALA
1 8 8 ALA
1 9 9 ALA
1 10 10 ALA
1 11 11 ALA
1 12 12 ALA
1 13 13 ALA
1 14 14 ALA
1 15 15 ALA
1 16 16 ALA
1 17 17 ALA
1 18 18 ALA
1 19 19 ALA
1 20 20 ALA
1 21 21 ALA
1 22 22 ALA
1 23 23 ALA
1 24 24 ALA
1 25 25 ALA
1 26 26 ALA
1 27 27 ALA
1 28 28 ALA
1 29 29 ALA
1 30 30 ALA
1 31 31 ALA
1 32 32 ALA
1 33 33 ALA
1 34 34 ALA
1 35 35 ALA
1 36 36 ALA
1 37 37 ALA
1 38 38 ALA
1 39 39 ALA
1 40 40 ALA
1 41 41 ALA
1 42 42 ALA
1 43 43 ALA
1 44 44 ALA
1 45 45 ALA
1 46 46 ALA
1 47 47 ALA
1 48 48 ALA
1 49 49 ALA
1 50 50 ALA
1 51 51 ALA
1 52 52 ALA
1 53 53 ALA
1 54 54 ALA
1 55 55 ALA
1 56 56 ALA
1 57 57 ALA
1 58 58 ALA
1 59 59 ALA
1 60 60 ALA
1 61 61 ALA
1 62 62 ALA
1 63 63 ALA
1 64 64 ALA
1 65 65 ALA
1 66 66 ALA
1 67 67 ALA
1 68 68 ALA
1 69 69 ALA
1 70 70 ALA
1 71 71 ALA
1 72 72 ALA
1 73 73 ALA
1 74 74 ALA
1 75 75 ALA
1 76 76 ALA
1 77 77 ALA
1 78 78 ALA
1 79 79 ALA
1 80 80 ALA
1 81 81 ALA
1 82 82 ALA
1 83 83 ALA
1 84 84 ALA
1 85 85 ALA
1 86 86 ALA
1 87 87 ALA
1 88 88 ALA
1 89 89 ALA
1 90 90 ALA
1 91 91 ALA
1 92 92 ALA
1 93 93 ALA
1 94 94 ALA
1 95 95 ALA
1 96 96 ALA
1 97 97 ALA
1 98 98 ALA
1 99 99 ALA
1 100 100 ALA
1 101 101 ALA
1 102 102 ALA
1 103 103 ALA
1 104 104 ALA
1 105 105 ALA
1 106 106 ALA
1 107 107 ALA
1 108 108 ALA
1 109 109 ALA
1 110 110 ALA
1 111 111 ALA
1 112 112 ALA
1 113 113 ALA
1 114 114 ALA
1 115 115 ALA
1 116 116 ALA
1 117 117 ALA
1 118 118 ALA
1 119 119 ALA
1 120 120 ALA
1 121 121 ALA
1 122 122 ALA
1 123 123 ALA
1 124 124 ALA
1 125 125 ALA
1 126 126 ALA
1 127 127 ALA
1 128 128 ALA
1 129 129 ALA
1 130 130 ALA
1 131 131 ALA
1 132 132 ALA
1 133 133 ALA
1 134 134 ALA
1 135 135 ALA
1 136 136 ALA
1 137 137 ALA
1 138 138 ALA
1 139 139 ALA
1 140 140 ALA
1 141 141 ALA
1 142 142 ALA
stop_
save_
|
