Webserver - selenomethionine position is not picked up from PDB structure

[KCMYS]

Expected Behavior

Current Behavior

Steps to Reproduce (for bugs)

Please make sure to execute the reproduction steps with newly recreated and empty tmp folders.

Foldssek Output (for bugs)

From webserver, the alignment of query to target structure consisting selenomethionine (PDB structure) will produce selenomethionine-deleted result. Can be seen when align following PDBs: 4KIB, 4KIC, 4KIG

Context

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Your Environment

Include as many relevant details about the environment you experienced the bug in.

• Git commit used (The string after "MMseqs Version:" when you execute foldseek without any parameters):
• Which foldseek version was used (Statically-compiled, self-compiled, Conda, etc.):
• For self-compiled and Homebrew: Compiler and Cmake versions used and their invocation:
• Server specifications (especially CPU support for AVX2/SSE and amount of system memory):
• Operating system and version:

[martin-steinegger]

@mvankem could you please have a look at this?

[mvankem]

This should be the same issue as in #91: The PDB SEQRES record doesn't match the ATOM records, therefore the selenomethionine without coordinates is missing. All other selenomethionines are correctly translated to methionines.

@KCMYS Only the selenomethionine at the sequence start, which is unmodeled (no ATOM records), is missing, right?