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AndrewCRMartin / absplit

Code to split an antibody PDB file into Fv fragments with their antigens
GNU General Public License v3.0
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antigen chain miss labelled (h becomes H in ATOM records) #21

Closed biochunan closed 1 year ago

biochunan commented 1 year ago

Dataset /serv/data/abdb_newdata_20200719

Entry: pdb6ao0_0P.mar

REMARK 950 CHAIN-TYPE  LABEL ORIGINAL
REMARK 950 CHAIN L     L     L
REMARK 950 CHAIN A     h     H

antigen chain label h miss labelled as H in ATOM records

ATOM    820  NH1 ARG L 110      27.317   8.919  -7.357  1.00 85.33           N  
ATOM    821  NH2 ARG L 110      26.525  11.069  -7.214  1.00 83.62           N  
TER     822      ARG L 110                                                      
ATOM    823  N   GLU H   1     -31.765  -2.083   2.986  1.00 56.89           N  
ATOM    824  CA  GLU H   1     -32.346  -3.410   3.146  1.00 58.64           C  
ATOM    825  C   GLU H   1     -31.360  -4.493   2.720  1.00 53.94           C
biochunan commented 1 year ago

HEADER issue