How to use PASSMLcc passml.c -lm -O -o passml
passml.c
eigen.c
passml.h
tools.h
passml.inp (job file)
eigen
rhoij38 (hidden Markov transition matrix)
rev38 (amino acids stationary probabilities for each secondary structure)
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PaSSml --> Phylogeny and Secondary Structure using ML
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this program infers branch lengths of an evolutionary tree from a multialignment of amino acid sequences and predicts or improves secondary structure
- job file name: passml.inp (ASCII format)
- verbose file name: prolix (all the trees evaluated)
PARAMETERS:
a) secondary structure y/n:
b) accessibility y/n:
c) number sequences :
d) protein length :
e) user tree y/n:
f) use branch lengths y/n:
g) sequence filename (a short one):
h) sequential or aligned s/i:
i) output file (a short one):
j) eigen file: eigen
k) model file: rhoij38
l) aa stationary probabilities file: rev38
m) HMM (a), HMM &1st category is Coil exposed (b) [NULL model (c)]:
n) structure prediction: No (a), H(helix)_E(sheet)_O(others) (b), H_E_T(turn)_O (c), b(buried)_e(exposed) (d), H_E_T_O * b_e (e):
o) [ancestral node prediction]: n
p) [bootstrap analysis] y/n: n
q) quit y/n: n
choose a letter (. to accept) :>
species and sites at the beginning.
(species_A:8.084913,(species_B:0.904446,species_C:0.880132):23.084233,species_D:0.263436);
Then, for all the sites, the secondary structure predictions in terms of posterior probabilities that each site is in each of the chosen categories, e.g.Secondary Structure prediction
Number of predicted categories: 4
| site | Alpha helix | Beta Sheet | Turn | Coil+others |
|---|---|---|---|---|
| 1 | 0.743070 | 0.174581 | 0.012832 | 0.069516 |
| 2 | 0.776110 | 0.184517 | 0.013344 | 0.026029 |
| 3 | 0.790418 | 0.182928 | 0.014339 | 0.012316 |
| . | . | . | . | |
| . | . | . | . | |
| n | 0.008849 | 0.122215 | 0.537083 | 0.331853 |