UCLOrengoGroup / cath-tools

Protein structure comparison tools such as SSAP and SNAP
http://cath-tools.readthedocs.io
GNU General Public License v3.0
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Add 2DSEC (multiple alignment plots) #29

Closed sillitoe closed 7 years ago

sillitoe commented 7 years ago

2DSEC takes a multiple structural alignment file and outputs a postscript image of the conserved secondary structures.

We have had a request to make 2DSEC images available for others to use and IIRC the only dependency is that the input file is in CORA format (which cath-superpose should be able to do).

2dsec

tonyelewis commented 7 years ago

Closing this for now because @sillitoe and I discussed it and, though we like several long-term ideas, it's less clear what can usefully be done here in the shortish term.

In particular, the multiple-alignment that cath-superpose generates ATM is a rough one built by gluing pairwise SSAP alignments together. This is good enough to generate good superpositions but can be somewhat sparse in places and so isn't recommended for this sort of application.

Two things we discussed:

In the short term, @sillitoe plans to investigate whether the original user request can be satisfied in a simple way, perhaps by giving them 2DSEC (binary/source?), which they can use on pairwise SSAP alignments?