How to define multiple rebuilding region?
Dear All, I am trying to use phenix.autobuild to rebuild some poor regions in my model. Since I know which part should be rebuilt, I was thinking using rebuild_chain_list in combination with rebuild_res_end_list and rebuild_res_start_list. The manual suggested: " You can specify more than one region by using the Parameter Group Options button to add lines." What is this Parameter Group Options button? I am running through an .eff file. I have tried something like this: rebuild_chain_list= " 'A, 'B' " rebuild_res_end_list= 50 rebuild_res_start_list=10 However, it does not work. It becomes more obscure to me what if I want to rebuild more than one region in a single chain? Thanks in advance. Jason ------------------------------------------------ University of Pittsburgh School of Medicine 3501 Fifth Avenue Pittsburgh, PA 15261 ------------------------------------------------
Hi Jason, Yes, the manual has some old text that goes with the now-unused GUI. Sorry about that. I fixed it just last week. I think you want to say something very similar to what you have below. The key is: the entries in these 3 lists must all correspond (i.e., 2 numbers in each list). Try this: rebuild_chain_list= " A B " rebuild_res_end_list= "50 50" rebuild_res_start_list="10 10" or else: rebuild_res_end_list= 50 rebuild_res_start_list=10 which should apply to all chains. You should be able to use this approach to specify any number of regions to rebuild. Let me know if that doesn't do it! All the best, Tom T On Jul 14, 2010, at 11:42 AM, J J wrote:
Dear All,
I am trying to use phenix.autobuild to rebuild some poor regions in my model. Since I know which part should be rebuilt, I was thinking using rebuild_chain_list in combination with rebuild_res_end_list and rebuild_res_start_list. The manual suggested: " You can specify more than one region by using the Parameter Group Options button to add lines." What is this Parameter Group Options button? I am running through an .eff file.
I have tried something like this:
rebuild_chain_list= " 'A, 'B' " rebuild_res_end_list= 50 rebuild_res_start_list=10
However, it does not work. It becomes more obscure to me what if I want to rebuild more than one region in a single chain? Thanks in advance.
Jason ------------------------------------------------ University of Pittsburgh School of Medicine 3501 Fifth Avenue Pittsburgh, PA 15261 ------------------------------------------------ _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
Thomas C. Terwilliger Mail Stop M888 Los Alamos National Laboratory Los Alamos, NM 87545 Tel: 505-667-0072 email: [email protected] Fax: 505-665-3024 SOLVE web site: http://solve.lanl.gov PHENIX web site: http:www.phenix-online.org ISFI Integrated Center for Structure and Function Innovation web site: http://techcenter.mbi.ucla.edu TB Structural Genomics Consortium web site: http://www.doe-mbi.ucla.edu/TB CBSS Center for Bio-Security Science web site: http://www.lanl.gov/cbss
Tom, I have tried what you suggested. *rebuild_chain_list= "A B"**rebuild_res_end_list= 50**rebuild_res_start_list=10* or *rebuild_chain_list= "A B"**rebuild_res_end_list= "50 50"**rebuild_res_start_list="10 10"* * * Both do not work. For 1st case, the error message says: NOTE: No segments for chain 'A B' found. Chains available: ['A', 'B'] The error message for the 2nd case says: Sorry the string '10 10' cannot be interpreted as a residue number? Am I missin something here? Hi Jason,
Yes, the manual has some old text that goes with the now-unused GUI. Sorry about that. I fixed it just last week.
I think you want to say something very similar to what you have below. The key is: the entries in these 3 lists must all correspond (i.e., 2 numbers in each list). Try this:
rebuild_chain_list= " A B " rebuild_res_end_list= "50 50" rebuild_res_start_list="10 10"
or else:
rebuild_res_end_list= 50 rebuild_res_start_list=10
which should apply to all chains.
You should be able to use this approach to specify any number of regions to rebuild.
Let me know if that doesn't do it! All the best, Tom T
On Jul 14, 2010, at 11:42 AM, J J wrote:
* Dear All,*>**>* I am trying to use phenix.autobuild to rebuild some poor regions in *>* my model.*>* Since I know which part should be rebuilt, I was thinking using *>* rebuild_chain_list in combination with rebuild_res_end_list and *>* rebuild_res_start_list.*>* The manual suggested: " You can specify more than one region by *>* using the Parameter Group Options button to add lines." What is *>* this Parameter Group Options button? I am running through an .eff *>* file.*>**>* I have tried something like this:*>**>* rebuild_chain_list= " 'A, 'B' "*>* rebuild_res_end_list= 50*>* rebuild_res_start_list=10*>**>* However, it does not work. It becomes more obscure to me what if I *>* want to rebuild more than one region in a single chain? Thanks in *>* advance.*>**>* Jason*>* ------------------------------------------------*>* University of Pittsburgh School of Medicine*>* 3501 Fifth Avenue*>* Pittsburgh, PA 15261*>* ------------------------------------------------ *>* _______________________________________________*>* phenixbb mailing list*>* phenixbb at phenix-online.org http://phenix-online.org/mailman/listinfo/phenixbb*>* http://phenix-online.org/mailman/listinfo/phenixbb*
Jason ------------------------------------------------ University of Pittsburgh School of Medicine 3501 Fifth Avenue Pittsburgh, PA 15261 ------------------------------------------------
On Wed, Jul 14, 2010 at 3:04 PM, J J
Tom,
I have tried what you suggested.
*rebuild_chain_list= "A B"*
*rebuild_res_end_list= "50 50"**rebuild_res_start_list="10 10"*
Both do not work.
Try leaving the quotes out or enclosing only the individual chain IDs or
residue numbers in quotes - these parameters are all supposed to be lists of values, and the parser groups anything in quotes as a single list item. -Nat
Thanks, Nat! Just to be clear: the format for lists on the command line for autobuild is different than for a parameters file. In a parameters file, you leave off the quotes for the list; on the command line you use quotes around the entire list. All the best, Tom T On Jul 14, 2010, at 4:40 PM, Nathaniel Echols wrote:
On Wed, Jul 14, 2010 at 3:04 PM, J J
wrote: Tom, I have tried what you suggested. rebuild_chain_list= "A B" rebuild_res_end_list= "50 50" rebuild_res_start_list="10 10" Both do not work. Try leaving the quotes out or enclosing only the individual chain IDs or residue numbers in quotes - these parameters are all supposed to be lists of values, and the parser groups anything in quotes as a single list item.
-Nat _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
Thomas C. Terwilliger Mail Stop M888 Los Alamos National Laboratory Los Alamos, NM 87545 Tel: 505-667-0072 email: [email protected] Fax: 505-665-3024 SOLVE web site: http://solve.lanl.gov PHENIX web site: http:www.phenix-online.org ISFI Integrated Center for Structure and Function Innovation web site: http://techcenter.mbi.ucla.edu TB Structural Genomics Consortium web site: http://www.doe-mbi.ucla.edu/TB CBSS Center for Bio-Security Science web site: http://www.lanl.gov/cbss
participants (3)
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J J
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Nathaniel Echols
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Tom Terwilliger