mkhssp does not output
Closed this issue · 2 comments
Hello,
I have used mkdssp
in the past without issues. But today I have downloaded v3.1.5 and installed from scratch. I see that the mkdssp
executable does not exist anymore. Or at least it was not created during the installation in my computer.
When I run:
./mkhssp -i SOME.pdb -o some.out
I always get the help
message without any other error message, and simply no output is generated.
For example:
(base) joao@vant:~/projects/
$ /home/joao/software/hssp-3.1.5/mkhssp -i 12AS_A.pdb -o out.dssp
mkhssp options:
-h [ --help ] Display help message
-i [ --input ] arg PDB ID or input PDB file (.pdb), mmCIF file
(.cif/.mcif), or fasta file (.fa/.fasta), optionally
compressed by gzip (.gz) or bzip2 (.bz2)
-o [ --output ] arg Output file, optionally compressed by gzip (.gz) or
bzip2 (.bz2). Use 'stdout' to output to screen
-d [ --databank ] arg Databank to use (can be specified multiple times)
-a [ --threads ] arg Number of threads (default is maximum)
--min-length arg Minimal chain length (default = 25)
--fragment-cutoff arg Minimal alignment length as fraction of chain length
(default = 0.75)
-O [ --gap-open ] arg Gap opening penalty (default is 30.0)
-E [ --gap-extend ] arg Gap extension penalty (default is 2.0)
--threshold arg Homology threshold adjustment (default = 0.05)
-m [ --max-hits ] arg Maximum number of hits to include (default = 5000)
--fetch-dbrefs Fetch DBREF records for each UniProt ID
-v [ --verbose ] Verbose mode
--version Show version number and citation info
If I ask for version:
$ /home/joao/software/hssp-3.1.5/mkhssp --version
mkhssp version 3.1.0
If you use HSSP, please cite:
Touw WG, Baakman C, Black J, te Beek TA, Krieger E, Joosten RP & Vriend G.
A series of PDB-related databanks for everyday needs.
Nucleic Acids Res. (2015) 43, D364-D368. doi: 10.1093/nar/gku1028.
The original HSSP reference is:
Sander C & Schneider R.
Database of homology-derived protein structures and the structural meaning of sequence alignment.
Proteins (1991) 9, 56-68. doi: 10.1002/prot.340090107.
I wanted to use the DSSP functionality to extract secondary structure identity from PDBs. Am I missing something obvious?
Thanks for your help
@joaomcteixeira for dssp, you need to use the releases in https://github.com/cmbi/dssp. The xssp repository has been split recently.
The version numbers are wrong. We'll update those.
Thanks and sorry!
I was actually looking to find the dssp repository but I couldn't, I was looking for xssp. And I had the link saved in my bookmarks and that was what remained has hssp.
Thanks for clarifying!