[modeller_usage] BLK usage => mainy chains

[Isaure Chauvot de Beauchene <ichauvot AT lbpa.ens-cachan.fr>]

Hello,

I try to build a modele with 2 protein templates. I want to modelise  
just one loop of 1pkg, part of it on the template 3A2M, the rest of  
the loop de novo. The rest of 1pkg must not be changed, so I put it as  
BLK:

P1;1pkg
structureX:1pkg:1:A:280:A::::  
..............................................................................
........................................--------------------------------------
-------------------------------------------...................................
..............................................................................
.................................................*
P1;3A2M
structureX:3A2M:283:A:305:A::::  
------------------------------------------------------------------------------
----------------------------------------QEDHADAIGRSVAGWIAGIEAVR---------------
------------------------------------------------------------------------------
------------------------------------------------------------------------------
-------------------------------------------------*
P1;KID
sequence:KID:1:A:361:A::::  
..............................................................................
........................................KRDSFICSKQEDHAEAALYKNLLHSKESSCSDSTNEYM
DMKPGVSYVVPTKADKRRSVRIGSYIERDVTPAIMEDDELALD...................................
..............................................................................
.................................................*


I get a model with 3 chains instead of one. How can I get a one-chain model?
All atoms in the pdb files are like "ATOM". Should I change it in "HETATM"?

Thanks a lot in advance,
Isaure

--
Isaure  Chauvot_de_Beauchêne
ichauvot AT lbpa.ens-cachan.fr

PhD Student
Laboratoire de Biolgie et Pharmacologie Appliquée (Dir J.-F. Mouscadet)
CNRS - Ecole Normale Supérieure de Cachan
Equipe BioInformatique, Modélisation et Dynamique Moléculaire (BIMoDyM) (Dir
Luba.Tchertanov)

61 Av du Président Wilson
94230 Cachan
France

--- Begin Message ---

• To: modeller_usage@listsrv.ucsf.edu
• Subject: BLK usage => mainy chains
• From: Isaure Chauvot de Beauchene <ichauvot AT lbpa.ens-cachan.fr>
• Date: Mon, 24 Jan 2011 12:16:16 +0100
• Disposition-notification-to: ichauvot AT lbpa.ens-cachan.fr

Hello,

I try to build a modele with 2 protein templates. I want to modelise just a loop of 1pkg, part of it on the template 3A2M, the rest of the loop de novo. The rest of 1pkg must not be changed, so I put it as BLK:

P1;1pkg

structureX:1pkg:1:A:280:A::::
..............................................................................
........................................--------------------------------------
-------------------------------------------...................................
..............................................................................
.................................................*

P1;3A2M

structureX:3A2M:283:A:305:A::::
------------------------------------------------------------------------------
----------------------------------------QEDHADAIGRSVAGWIAGIEAVR---------------
------------------------------------------------------------------------------
------------------------------------------------------------------------------
-------------------------------------------------*

P1;KID

sequence:KID:1:A:361:A::::
..............................................................................
........................................KRDSFICSKQEDHAEAALYKNLLHSKESSCSDSTNEYM
DMKPGVSYVVPTKADKRRSVRIGSYIERDVTPAIMEDDELALD...................................
..............................................................................
.................................................*


I get a model with 3 chain instead of one. How can I get a one-chain model?
All atoms in the pdb files are like "ATOM". Should I change it in "HETATM"?

Thanks a lot in advance,
Isaure

--
Isaure  Chauvot_de_Beauchêne
ichauvot AT lbpa.ens-cachan.fr

PhD Student
Laboratoire de Biolgie et Pharmacologie Appliquée (Dir J.-F. Mouscadet)
CNRS - Ecole Normale Supérieure de Cachan
Equipe BioInformatique, Modélisation et Dynamique Moléculaire (BIMoDyM) (Dir
Luba.Tchertanov)

61 Av du Président Wilson
94230 Cachan
France

--- End Message ---