vivek sharma wrote:
I am regular user of MODELLER, I am still using 7v7 as I dont know Python much.
8v1 will read TOP scripts quite happily. I recommend you use it rather than 7v7, as it fixes a number of bugs. You don't have to learn Python if you don't want to, but you can write much more powerful scripts in Python than in TOP.
I suddenly got an strange error while I was doing the loop modelling, I couldnt found any such previous email too which is in concern to this, so I need you help/comments in this concern.The whole structures are generated normally but when loop modelling procedure starts, it stops with following error.-------------------------- 1536 637 READ_TOPOLOGY FILE = TOPLIBopenf5__224_> Open 11 OLD SEQUENTIAL ${MODINSTALL7v7}/modlib//top_heav.libread_to_241E> Residue type defined multiple times: ALA recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1
Two possibilities: either your top_heav.lib file really does have ALA defined multiple times, or you set ADD_TOPOLOGY to 'on' at some point (it should be set to 'off'). If it isn't either of these, then I'd have to see your input files to figure out what the problem is.
P.S. Please consider using a more descriptive subject for your mails rather than "problem!" every time. ;)
Ben Webb, Modeller Caretaker -- modeller-care@salilab.org http://www.salilab.org/modeller/ Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage