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3.4 Specifying biochemical properties and distances

Some methods require an "alphabet index" to be specified. Alphabet indexes associate a value with each alphabet state (Index1, e.g. a biochemical property) or for a pair of states (Index2, e.g. a biochemical distance). This section describes the supported indexes:

3.4.1 Index1

None

If no index should be used.

Surface, Mass, Volume, Charge {AA}

Basic amino acids properties.

GranthamPolarity, GranthamVolume {AA}

Grantham’s polarity and volume index.

KleinCharge {AA}

Klein’s charge.

ChouFasmanAHelix, ChouFasmanBSheet, ChouFasmanTurn {AA}

Chou and Fasmani score for secondary structure prediction.

ChenGuHuangHydrophobicity {AA}

Hydrophobicity according to Chen, Gu and Huang.

SEALow, SEAMedium, SEAHigh {AA}

Solvent Exposed Area, percent of amino acids having a SEA below 10, between 10 and 30, or higher than 30, respectively.

User

A user defined Index1, from a file in the AAIndex1 syntax. The input file is specified using the file={path} argument. file

3.4.2 Index2

None

If no index should be used.

Blosum50 {AA}

The BLOSUM 50 amino acid distance matrix.

Grantham, Miyata {AA}

Two biochemical distance matrices. Both accept an optional argument symmetrical={boolean} allowing to specify if the matrix should be symmetric or not. If not, the distance measure will be signed.

Diff

Allow to compute a distance matrix by taking the difference for, each pair of state, of an Index1 value. The Index1 to use is specified using the index1={Index1 description} argument. An additional argument allow to specify whether the resulting matrix should be symetric (symmetrical={boolean}): if so, the absolute difference will be used. Alternatively, the distance will be signed and d[i,j] = - d[j,i].

User

A user defined Index2, from a file in the AAIndex2 syntax. The input file is specified using the file={path} argument. The symmetrical={boolean} argument can be used to specify whether distances should be signed or not.


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