Dear Ben,
I am regular user of MODELLER, I am still using 7v7 as I dont know Python much.
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 = TOPLIB
openf5__224_> Open 11 OLD SEQUENTIAL ${MODINSTALL7v7}/modlib//top_heav.lib read_to_241E> Residue type defined multiple times: ALA recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1
Dynamically allocated memory at finish [B,kB,MB]: 52416487 51187.977 49.988 Starting time : 2005/06/25 09:49:26.337 Closing time : 2005/06/25 10:44:12.188 --------------------------
I dont see any such multiple definition of ALA residue in my top_heav.lib file. Although the same top_heav file was read finely by program when it began generating topology.
PLease place your comments.
Regards,
Vivek Sharma
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 = TOPLIB > > openf5__224_> Open 11 OLD SEQUENTIAL > ${MODINSTALL7v7}/modlib//top_heav.lib > read_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
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vivek sharma