Wild PDB files has multiple HEADER records

Hi,

I need to align some PDB files, but no program seems to do what I need and I didn't found an workaround.

The HEADER record [1] has the purpose to uniquely identify the PDB entry, it can appears multiple times. In canonical files it appears in sequence right at the beginning. Seems that only the last occurrence of the record is stored into the result object [2]. It could be annoying to not have the first occurrence instead of the last, all would be even better.

My problem however is that the FTMap program writes a HEADER for the and one HEADER for each "consensus cluster" found, important cluster data is encoded at the HEADER. FTMap does it because PyMOL is able to load each HEADER marked coordinate section into a different object.

Bio3D reads one the title = HEADER only once. Place a named attribute "title" on the result object, and a factor vector of the corresponding HEADER of the file would fix my issue. Note that HEADER records can appear anywhere in the file [1].

If you don't mind I could try to do such modification, seems that only a few lines need to be changed [3,4, 5].

[1] http://www.wwpdb.org/documentation/file-format-content/format33/sect2.html#HEADER

[2] https://bitbucket.org/Grantlab/bio3d/src/11e6587addb568c1a8c7850f25bc117a79bd4a87/ver_devel/bio3d/src/read_pdb.cpp#lines-380

[3] https://bitbucket.org/Grantlab/bio3d/src/11e6587addb568c1a8c7850f25bc117a79bd4a87/ver_devel/bio3d/src/read_pdb.cpp#lines-337

[4] https://bitbucket.org/Grantlab/bio3d/src/11e6587addb568c1a8c7850f25bc117a79bd4a87/ver_devel/bio3d/src/read_pdb.cpp#lines-28

[5] https://bitbucket.org/Grantlab/bio3d/src/11e6587addb568c1a8c7850f25bc117a79bd4a87/ver_devel/bio3d/src/read_pdb.cpp#lines-126

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