C-alpha file format
Reseek supports a new format called C-alpha, files must have .cal extension.
This is a text format which represents the C-alpha atoms for one or more structure chains as seen in the following example:
C-alpha format is typically 30x to 60x smaller than PDB or mmCIF format.
Use the convert command to create a C-alpha file, for example:
Reseek supports a new format called C-alpha, files must have .cal extension.
This is a text format which represents the C-alpha atoms for one or more structure chains as seen in the following example:
>1ABC S 26.877 49.597 36.595 E 23.362 50.107 35.318 F 23.745 46.560 33.839 D 24.931 44.797 36.962 Y 22.888 42.289 38.824 ... etc ...Each chain starts with a > in column one followed by a label, as in FASTA format . Following the label, there is one line for each amino acid. There are four tab-separated fields: the one-letter amino acid code followed by X, Y and Z coordinates of the C-alpha atom.
C-alpha format is typically 30x to 60x smaller than PDB or mmCIF format.
Use the convert command to create a C-alpha file, for example:
reseek -convert mystructsdir/ -cal mystructs.cal
