Re: [ccp4bb] validating a homlology model

2018-03-07 Thread Gert Vriend
Careina, Feel free to contact me about these things without using the CCP4BB list. I am sending this to the list with as purpose that others might in the future refer people with questions about homology modelling to me. After all, although the possibility to build homology models is one of

Re: [ccp4bb] validating a homlology model

2018-03-03 Thread Ed Pozharski
to predict dimerization mode first.  Happy Connecting. Sent from my Sprint Samsung Galaxy S® 5 Original message From: Careina Edgooms <02531c126adf-dmarc-requ...@jiscmail.ac.uk> Date: 3/2/18 6:44 AM (GMT-05:00) To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] vali

Re: [ccp4bb] validating a homlology model

2018-03-02 Thread Joana Pereira
Dear Careina, Your message is a bit confusing... Which kind of validation are you referring to? Do you want to check the geometrical quality of the backbone and side-chain rotamers, or do you want to evaluate how likely it is that the fold proposed by homology actually represents the fold of

Re: [ccp4bb] validating a homlology model

2018-03-02 Thread Tristan Croll
Hi Careina, This is a little confusing. A homology model *is* a set of coordinates (usually provided as a PDB file by most servers/packages I know of). The MolProbity site at http://molprobity.biochem.duke.edu/ allows you to upload your own PDB file, and in my experience is quite forgiving

[ccp4bb] AW: [ccp4bb] validating a homlology model

2018-03-02 Thread Herman . Schreuder
Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Careina Edgooms Gesendet: Freitag, 2. März 2018 12:44 An: CCP4BB@JISCMAIL.AC.UK Betreff: [EXTERNAL] [ccp4bb] validating a homlology model Dear all What programs are best used for validate homology models? I know

Re: [ccp4bb] validating a homlology model

2018-03-02 Thread Paul Emsley
On 02/03/2018 11:44, Careina Edgooms wrote: What programs are best used for validate homology models? I know of molprobity but if there are no coordinates I cannot use it. Is there a way to use such programs with homology models? Also I wish to use pdbepisa for to charaterise dimer

[ccp4bb] validating a homlology model

2018-03-02 Thread Careina Edgooms
Dear all What programs are best used for validate homology models? I know of molprobity but if there are no coordinates I cannot use it. Is there a way to use such programs with homology models? Also I wish to use pdbepisa for to charaterise dimer interface but again for homology model this