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Table 1 Algorithm MAPSCI: Multiple Alignment of Protein Structures and Consensus Identification

From: Multiple structure alignment and consensus identification for proteins

1. Choose initial consensus structure from . i ← 0. SC0 ← ∞.

2. Do

3.    if i = 0 then compute pairwise structure alignment between and every P j .

4.    else use standard dynamic programming to align with every P j .

5.    ii + 1.

6.    Compute correspondence from the above alignments (either pairwise or dynamic programming) using center-star-like method.

7.    Compute optimal translation matrix and optimal rotation matrix iteratively (Theorems 2 and 3). Transform P j by and for every j to obtain multiple structure alignment i. SCiSC(i).

8. Post-process iby removing all columns consisting of only gaps.

9.    Compute new consensus structure from iby Theorem 1.

10. Until .//η is a user-specified threshold (currently set at 0.0001)