Dear Phenix community,

I was hoping if someone could help me with using Phaser correctly, since I can't seem to produce the desired search model.

The first thing that I was wondering about is that the CLUSTAL alignment from the log file is quite different to the .aln alignment I made with phenix --> other tools --> multiple sequence alignment. Why is a sequence alignment required as input if sculptor performs it's own internally?

My model sequence aligned  to my target sequence in the log file has several gaps in the alignment . For e.g.,

MASTER         ......AASFIMV......  
CHAIN_A        ......AKM--MF....... 

I would like to great a search model in which the residues aligned to gaps in the MASTER chain are included, however the resulting sculptor .pdb file has these residues removed. Shouldn't they be inserted so that the rest of the chain is in the correct register? 

If anyone can let me know the parameters to allow this, I would greatly appreciate it. I tried unselecting 'gap' in main-chain deletion scope and some other variations, but this didn't seem to help. 

I seem to get the same result even if I change the target index from 1 to 2 in the associated .aln alignment. Does anyone know why this is?

Apologies if this is quite obvious, I have been reading the documentation but can't seem to figure it out.

All the best,

Joseph.

 

Joseph Brock | PhD
Division of Physiological Chemistry II
Department of Medical Biochemistry and Biophysics 
Karolinska Institutet
Scheeles väg 2
SE-171 77 Stockholm, Sweden