Re: [phenixbb] will phenix.fmodel automatically generates and takes into account the TLS B by reading the TLS REMARK from pdb?

Hi Hailiang,

I tried the following code for PDB 1SX3:

******************* phenix.tls 1SX3.pdb combine_tls=true ********************

but it ended up with:

*********** ======================= TLS groups from PDB file header =======================

Sorry: Bad TLS selection: start index> end index. *******************

yes, the PDB file http://www.pdb.org/pdb/files/1SX3.pdb has the wrong TLS selection: (...) REMARK 3 TLS GROUP : 10 REMARK 3 NUMBER OF COMPONENTS GROUP : 4 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : D 561 D 135 (...) I couldn't find any documentation on this matter, but based on my survey of PDB entries I found that the start_index (561 above) should be less than end_index (135 above), which is not the case for this TLS group.

By the way, do I have to specify the selection or phenix.tls will automatically do it based on PDB header?

The TLS information is extracted from PDB file header automatically. Pavel.